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A two-dimensional analytical model with a set of adjusting parameters [[1]] is proposed for an interaction potential of three-atom collinear system. Different numerical methods for obtaining the optimal set of parameters are considered in the present work. These parameters are used to approximate a two-dimensional numerical array (as obtained from another quantum-chemical ab initio calculations for...
Current workflow systems usually do not provide adequate support for workflow modeling. Real life work processes can be much richer in variations and more dynamic than a typical workflow model is capable of expressing; this means that the users need to be able to adjust workloads and modify workflow models on the fly [[10]]. Plexus, a system for the development of simulators [[5],[6]], is a typical...
We present some Monte Carlo simulation results for a two-dimensional unsteady problem of gas flow in an extremely narrow channel with an inclined upper wall and moving lower one. This is a model of gas film lubrication in modern magnetic disk storage, which is now under development. In order to account for non-uniform inner and outer structure of the boundary incoming and outgoing flows the DSMC simulations...
We consider the problem of accumulating the Jacobian matrix of a nonlinear vector function by using a minimal number of arithmetic operations. Two new Markowitz-type heuristics are proposed for vertex elimination in linearized computational graphs, and their superiority over existing approaches is shown by several tests. Similar ideas are applied to derive new heuristics for edge elimination techniques...
This paper deals with the measurement and simulation of the dynamic processes on the systems with distributed parameters. As an example of such a system the elastic pipeline transporting the elastic fluid has been chosen. The effort was mainly aimed at the measurement and modeling of prime hydraulic head in the pipeline which arises after sudden closing the valve. The problem described here can be...
The fundamental question of theoretical chemistry is to find the relationship between the electronic structure of reacting particles and their reactivity. In the case of reactions proceeding through complex multi-step mechanisms the problem to determine specie reactivity’s is of difficult solution. This report presents a new numerical method, which enables to reveal the structure of reaction optimal...
The method of numerical calculation of kinetic significance (value magnitude) of the individual steps is suggested by means of Hamiltonian systematization multystep chemical reaction model. The given computation method is desplayed on the Chapman analyse model for ozone kinetics,as well as a tools of reduction model of formaldehyde oxidation reaction in the presence of carbon (II) oxide.
Most boundary value problems of the geopotential field have integral and series solutions in terms of Green’s convolution kernels. These solutions are advantageously evaluated using fast Spherical Harmonic Transforms (SHTs) for regular arrays of simulated or observed global data. However, the computational comlexity and numerical conditioning of SHTs for relatively dense data are quite challenging...
Data assimilation based on a variational principle for parameter estimation of 2-D advection-dispersion equations is considered. It is assumed that a priori estimations for the model parameters and the initial condition are available. Improvement of parameters for the radionuclide transport model is reduced to an optimization problem with quadratic cost functional. The cost functional comprises the...
The main of presented research is a demonstration of creating the society model on ethnic solidarity level. This model describes the behavior of ethnic system. The ethnic system includes a few ethnoses and provides their interactions. The interactions transmit by ethnic fields. The model is described by system of parabolic differential equations. The software TERRI is used for the forecast of arising...
The project was focused on the thermal aspects of the new IPM module design. The investigations were aimed to estimate the influence of the particular design of the MOSFET transistor location versus the steady-state thermal feature of the considered IPM and to determinate its thermal impedance as well as to evaluate its equivalent RC network (ladder) model. It required working out the 3-D thermal...
The authors introduce some further research on the problem depicted in [[1]]. The transient model has been worked out to check how rapidly the temperature of the chip changes when the applied power changes abruptly This means searching for the answer: how the thermal resistance and the maximum temperature vary versus time. The simulations required using the 3-D thermal model of considered system that...
With the help of the empirical mutation table for nucleotides in the Borrelia burgdorferi genome we have performed Monte Carlo simulation of the pure mutation pressure experienced by the genes of the genome. We have examined the divergence of the mutated genes from the ancestral ones and we have constructed MPM1 matrix (Mutation Probability Matrix) of the substitution rates between amino acids of...
The combination of powerful computers and complex simulators allows us to accurately simulate the behavior of real system. This is specially importantin the case of systems that cannot be manipulated, as the economic behavior of a society. CEES is a program that allows a user to simulate the behavior, both in the short and long-term, of an economy. Besides, users, of the system can be part of the...
Molecular Dynamics simulations were performed for 9×9 bilayers formed by gemini surfactants p-[C19H39N+(CH3)2CH2]2C6H4 · 2Cl- or [C19H39N+(CH3)2CH2]2CH(OH) ·2Cl- with rigid...
We consider the reliable transmission of messages via quickest paths in a network with bandwidth, delay and reliability parameters specified for each link. For a message of size σ, we present algorithms to compute all-pairs quickest most-reliable and most-reliable quickest paths each with time complexity O(n2m), where n and m are the number of nodes and links of the network,...
In this paper, we introduce a XML modeling methodology to design W3C XML schema using UML and we propose a unified design methodology for relational database schema to store XML data efficiently in relational databases. In the second place, in order to verify objectivity of the unified design methodology. Using Ronald Bourret’s method, first we introduce the method of the transformation from XML schema...
We propose an Alzheimer’s disease (AD) recognition method combined the genetic algorithms (GA) and the artificial neural network (ANN). Spontaneous EEG and auditory ERP data recorded from a single site in 16 early AD patients and 16 age-matched normal subjects were used. We made a feature pool including 88 spectral, 28 statistical and 2 nonlinear characteristics of EEG and 10 features of ERP. The...
With the explosive popularity of the Internet, the number of accessible web servers has proliferated as well. Subsequently, malicious attacks on these servers via viruses have become more prevalent. Due to the self-propagation and self-duplication nature of these viruses, such attacks can congest the network quickly, aggravating the already limited bandwidth available and curtail service provided...
This paper presents a design and implementation of the innovative software development system for image processing and compression. This platform allows to make 3D image processing as well as fundamental operations on images. One of the most important features of this system, that we will focus on in this paper, is its ability to evaluate performance of different stereo matching methods. This is accomplished...
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