The dissociation and metal ion binding properties of a soil fulvic acid have been characterized. Information thus gained was used to compensate for salt and site heterogeneity effects in metal ion complexation by the ...
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The dissociation and metal ion binding properties of a soil fulvic acid have been characterized. Information thus gained was used to compensate for salt and site heterogeneity effects in metal ion complexation by the fulvic acid. An earlier computational scheme has been modified by incorporating an additional step which improves the accuracy of metal ion speciation estimates. An algorithm is employed for the prediction of metal ion binding by organic acid constituents of natural waters (once the organic acid is characterized in terms of functional group identity and abundance). The approach discussed here, currently used with a spreadsheet program on a personal computer, is conceptually envisaged to be compatible with computer programs available for ion binding by inorganic ligands in natural waters.
A modified computational scheme of the stochastic perturbation finite element method (SPFEM) is developed for structures with low-level uncertainties. The proposed scheme can provide second-order estimates of the mean...
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A modified computational scheme of the stochastic perturbation finite element method (SPFEM) is developed for structures with low-level uncertainties. The proposed scheme can provide second-order estimates of the mean and variance without differentiating the system matrices with respect to the random variables. When the proposed scheme is used, it involves finite analyses of deterministic systems. In the case of one random variable with a symmetric probability density function, the proposed computational scheme can even provide a result with fifth-order accuracy. Compared with the traditional computational scheme of SPFEM, the proposed scheme is more convenient for numerical implementation. Four numerical examples demonstrate that the proposed scheme can be used in linear or nonlinear structures with correlated or uncorrelated random variables.
GenerationE of huge "omics" data necessitates the development and application of computational methods to annotate the data in terms of biological features. In the context of DNA sequence, it is important to...
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GenerationE of huge "omics" data necessitates the development and application of computational methods to annotate the data in terms of biological features. In the context of DNA sequence, it is important to unravel the hidden physicochemical signatures. For this purpose, we have considered various sequence elements such as promoter, ACS, LTRs, telomere, and retrotransposon of the model organism Saccharomyces cerevisiae. Contributions due to di-nucleotides play a major role in studying the DNA conformation profile. The physicochemical parameters used are hydrogen bonding energy, stacking energy and solvation energy per base pair. Our computational study shows that all sequence elements in this study have distinctive physicochemical signatures and the same can be exploited for prediction experiments. The order that we see in a DNA sequence is dictated by biological regions and hence, there exists role of dependency in the sequence makeup, keeping this in mind we are proposing two computational schemes (a) using a windowing block size procedure and (b) using di-nucleotide transitions. We obtained better discriminating profile when we analyzed the sequence data in windowing manner. In the second novel approach, we introduced the di-nucleotide transition probability matrix (DTPM) to study the hidden layer of information embedded in the sequences. DTPM has been used as weights for scanning and predictions. This proposed computational scheme incorporates the memory property which is more realistic to study the physicochemical properties embedded in DNA sequences. Our analysis shows that the DTPM scheme performs better than the existing method in this applied region. Characterization of these elements will be a key to genome editing applications and advanced machine learning approaches may also require such distinctive profiles as useful input features.
This paper focuses on the development of a multi-structural computational scheme for textile thermal bioengineering design, which plays an important role in translating complex mathematical models into computational a...
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This paper focuses on the development of a multi-structural computational scheme for textile thermal bioengineering design, which plays an important role in translating complex mathematical models into computational algorithms and to implement computational simulation of clothing wearing system consisting of human body, clothing and external environment. In this paper, the integrated models for simulating the clothing wearing system is introduced and the descretization process of the partial differential equations involved in the mathematical models is reported. Based on the descretized equation assemblies,the multi-dimensional algorithms for computational simulation are developed for clothing thermal bioengineering design. Furthermore, the influence of the physical properties of clothing on the simulation results is analyzed to guide the user to design the thermal performance of clothing.
Prey-predator interactions are modeled using various dynamical systems and these interactions are affected by several factors. The predation rate of prey, reproduction rate, and prey use various strategies to avoid pr...
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Prey-predator interactions are modeled using various dynamical systems and these interactions are affected by several factors. The predation rate of prey, reproduction rate, and prey use various strategies to avoid predation, the movement of the prey and predator species, food, and secured shelter can lead to the emergence of various types of patterns. These patterns in the prey-predator dynamics explain the complicated ecosystem. A reaction-diffusion prey-predator model with harvesting in predator is numerically investigated. A conditionally positivity preserving scheme is used. The von Neumann technique is used for the stability analysis. The Taylor series is used for the consistency analysis and discrete approximation is consistent with the underlying model. Pattern formation is observed for the governing model. The spot, stripe, and spot-stripes patterns are successfully gained that describe the complicated dynamics of the prey-predator dynamics. 3D and 2D simulations are drawn for the underlying model. The underlying model has two equilibria, both are successfully gained. All the theoretical results are verified through the simulations.
Various technical and commercial processes, including polymer extrusion, biomedical transport, and improved oil recovery, depend on the simulation of non-Newtonian fluid behaviour. Of the non-Newtonian models, the Wil...
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Various technical and commercial processes, including polymer extrusion, biomedical transport, and improved oil recovery, depend on the simulation of non-Newtonian fluid behaviour. Of the non-Newtonian models, the Williamson fluid best reflects shear-thinning properties;nonetheless, its non-linear governing equations provide major difficulties for conventional numerical methods. This work tackles these issues by suggesting a unique twostage explicit computational method to solve the time-dependent flow of Williamson fluid through a DarcyForchheimer porous media under the effect of thermal radiation and an angled magnetic field. The approach uses a compact finite difference method for space (sixth-order accuracy) and a modified exponential integrator for time discretization (second-order accuracy). Including internal heat generation and chemical reaction, the model is nondimensionalized and solved under unsteady boundary conditions. The suggested approach shows better accuracy and lower numerical error when compared to the classical second-order Runge-Kutta scheme. Key results show that although larger reaction rates result in lower concentration, more velocity is produced by raising the Darcy number and lowering the magnetic field intensity. Apart from presenting a quick numerical framework, the paper offers physical insights on regulating transport phenomena in complicated porous and electromagnetic settings, suggesting uses in thermal management, fluid processing, and MHD systems.
We investigate the breakup of the halo nucleus on a light target (Be-11) within the quantum-quasiclassical approach in a wide range of beam energy (5-67 MeV/nucleon), including bound states and low-lying resonances in...
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We investigate the breakup of the halo nucleus on a light target (Be-11) within the quantum-quasiclassical approach in a wide range of beam energy (5-67 MeV/nucleon), including bound states and low-lying resonances in different partial and spin states of Be-11. The obtained results are in good agreement with existing experimental data at 67 MeV/nucleon. Furthermore, we demonstrate that the developed computational scheme can be used for investigating nuclei spectral properties in low-energy breakup experiments on different targets.
In this manuscript, we investigate the (2+1)-dimensional ratio-dependent prey-predator system. Prey-predator dynamics are a vital component of the eco-system. It provides the basic food for the living organisms. So, w...
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In this manuscript, we investigate the (2+1)-dimensional ratio-dependent prey-predator system. Prey-predator dynamics are a vital component of the eco-system. It provides the basic food for the living organisms. So, we considered the extended prey-predator model. The underlying model has 2 equilibrium points and stability analysis is carried out about the coexistence equilibrium. The condition for the Hopf bifurcation and Turing instabilities are derived. These conditions help to analyze the formation of patterns in the prey-predator system. The dispersion relation shows the changing behavior of Hopf bifurcation and Turing instability from stable to unstable. The bifurcation and Turing instability simulation divide the parametric space into 4 Regions. In Region I, the solution is stable, in Region II there is purely Turing instability, in Region III, there is only Hopf instability and in Region IV there is Hopf as well as Turing instability. Different types of Turing patterns are produced to capture rate parameters. The numerical solution of the model is obtained by positivity preserving finite difference scheme. The applied scheme is von Neumann stable, and consistent with the model. The bounded behavior of a given scheme is established. Mainly, we are focused on the graphical simulations for pattern formation and steady-state analysis. The 3D and 2D visualization for the Turing pattern and numerical solution are drawn for the various parameter values. The numerical simulations endorsed the analytical results.
We have developed and tested computational schemes for a one-dimensional equation of convective-diffusion transport of water-soluble compounds providing results satisfactory for practical purposes for various forms of...
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We have developed and tested computational schemes for a one-dimensional equation of convective-diffusion transport of water-soluble compounds providing results satisfactory for practical purposes for various forms of the initial concentration profile and relations between the convective-diffusion transport parameters.
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