In this work, the structural, electronic and absorption properties of 2-methyl-2H-naphtho-[1,8-de]triazine in the pressure ranges of 0–250GPa are studied in detail (hereinafter referred to as 2-methyl crystal). Density functional theory (DFT) is used to calculate the lattice constants, bond lengths and bond angles of 2-methyl under different pressures. The results show that the crystals undergo complex

For networks with fixed network topology, when the total coupling strength between nodes is limited and the coupling strength between nodes is saturated, the global optimization algorithms including genetic algorithm (GA) and particle swarm optimization (PSO) algorithm are used to adjust the coupling strength between nodes to improve the synchronizability of the network, respectively. Simulation results

The main purpose of this article is to apply response surface method to analyze the residual dyes removal independent variables from the experimental data for dye adsorption onto alkali-activated sand as natural adsorbent from textile wastewater. The independent variables are contact time (3–30min) and adsorbent dosage (12.5–100g) and the dependent variables are percentage of dye removal and dye adsorbed

The exponential synchronization and anti-synchronization of nonautonomous chaotic systems with uncertain parameters are studied. The adaptive controller is designed and analytic expression of the controller and the adaptive laws of parameters are given. Based on the Lyapunov stability theory, the exponential stability of the error system is proved. Numerical simulations of two nonautonomous chaotic

The Susceptible, Infected and Recover (SIR) model is a very simple model to estimate the dynamics of an epidemic. In the current pandemic due to Covid-19, the SIR model has been used to estimate the dynamics of infection for various infected countries. Numerical solutions are used to obtain the value of parameters for the SIR model. The maximum and minimum basic reproduction number (14.5 and 2.3) are

Necklace-ring solitons have gained much attention due to their potential applications in optics and other scientific areas. In this paper, the numerical investigation of the nonlinear Schrödinger equation by using the curvilinear coordinate lattice Boltzmann method is proposed to study necklace-ring solitons. Different from those used in the general curvilinear coordinate lattice Boltzmann models,

Pedestrian counter flows widely exist in public pedestrian facilities such as corridors, sidewalks, signalized crossings and so on. There is one specific flow in real life, namely counter flow with conflicting walking preference which often occurs in the case of presence of one-sidedly asymmetry due to shadows, light, snow and so on. It is often overlooked in practice and the related studies are still

As an effective method to remove fine particulate matter (FPM) in coal-fired industries, the aerodynamic agglomeration has recently received increasing attention due to its application value. In this paper, a CFD–PBM coupled model of the particle agglomeration for industrial application was developed to predict the particle size distributions (PSDs) using Eulerian multiphase approach and Population

The world evolution of the severe acute respiratory syndrome coronavirus 2 (SARS-Cov2 or simply COVID-19) led the World Health Organization to declare it a pandemic. The disease appeared in China in December 2019, and it has spread fast around the world, especially in European countries like Italy and Spain. The first reported case in Brazil was recorded in February 26, and after that the number of

Prof. Dr. H. C. Dietrich Stauffer passed away on August 6, 2019 after a long battle with cancer. He was for many years the Managing Editor of International Journal of Modern Physics C. The scientific community of statistical and computational physics has lost one of its prominent figures, who has shaped the field for over almost five decades.

We derive explicit closed-form matrix representations of Hamiltonians drawn from tensored algebras, such as quantum spin Hamiltonians. These formulas enable us to soft-code generic Hamiltonian systems and to systematize the input data for uniformly structured as well as for un-structured Hamiltonians. The result is an optimal computer code that can be used as a black box that takes in certain input

The fractional calculus is useful to model nonlocal phenomena. We construct a method to evaluate the fractional Caputo derivative by means of a simple explicit quadratic segmentary interpolation. This method yields to numerical resolution of ordinary fractional differential equations. Due to the nonlocality of the fractional derivative, we may establish an equivalence between fractional oscillators

This paper is devoted to introduce an efficient solver using the Hermite collocation technique (HCT), of the coupled system of fractional differential equations (FDEs). The given systems are of basic importance in modeling various phenomena like Cascades and Compartment Analysis, Pond Pollution, Home Heating, Chemostats, and Microorganism Culturing, Nutrient Flow in an Aquarium, Biomass Transfer, Forecasting

Many real-world systems can be abstracted as networks. As those systems always change dynamically in nature, the corresponding networks also evolve over time in general, and detecting communities from such time-evolving networks has become a critical task. In this paper, we propose an incremental detection method, which can stably detect high-quality community structures from time-evolving networks

In this work, we implement multiplicative noise to the Duffing oscillator with variable coefficients. The stochastic differential equations are solved using the fourth-order Runge–Kutta method with the Box-Müller algorithm and the corresponding integral of motion is obtained. Some numerical experiments are performed and the results show that the integral of motion is highly unaffected by the multiplicative

As an elementary task in statistical physics and network science, link prediction has attracted great attention of researchers from many fields. While numerous similarity-based indices have been designed for undirected networks, link prediction in directed networks has not been thoroughly studied yet. Among several representative works, motif predictors such as “feed-forward-loop” and Bi-fan predictor

Traffic flow models are important tools for traffic management applications such as traffic incident detection and traffic control. In this paper, we propose a novel numerical approximation method for second-order macroscopic traffic flow models. The method is based on the semi-discrete central-upwind numerical flux and high-order reconstructions for spatial discretizations. We then apply the designed

We study opinion formation by uncovering the relevant aspects hiding in the distribution of micro-configurations in a 2-D Ising model. The external field denotes the external influence such as guiding viewpoint, and temperature represents randomness of the agents. The full-positive configuration or the full-negative configuration means consensus. We find that the probability of the full-positive configuration

An interesting fact which was used in the construction of targeted essentially non-oscillatory (TENO) schemes is that a (n+1)th order accurate scheme can be written as a linear combination of two nth order accurate schemes. Taking advantage of this fact, we propose a formula to determine the ideal weights used in developing finite difference WENO/WENO-like schemes. Such quantitative results are helpful

Explicit formulas for orbital carriers of periods 4, 5 and 6 are reported for discrete-time quadratic dynamics. A systematic investigation of orbital inheritance for periods as high as k≤12 is also reported. Inheritance means that unknown orbits may be obtained by nonlinear transformations of known orbits. Such nested orbit within orbit stratification shows orbits not to be necessarily independent

In this age of Facebook, Instagram, and Twitter, there is rapidly growing interest in understanding network-enabled opinion dynamics in large groups of autonomous agents. The phenomena of opinion polarization, the spread of propaganda and fake news, and the manipulation of sentiment is of interest to large numbers of organizations and people. Whether it is the more nefarious players such as foreign

In order to characterize the disturbance fluctuation of pedestrian flow caused by the disturbance during evacuation and the state change of pedestrian flow, this paper improves the social force model by introducing disturbance fluctuation force. First, a momentum equation is established to describe the change of pedestrian flow under the influence of disturbance fluctuation, and the mathematical expression

To evaluate the effectiveness of the containment on the epidemic spreading of the new Coronavirus disease 2019, we carry on an analysis of the time evolution of the infection in a selected number of different Countries, by considering well-known macroscopic growth laws, the Gompertz law, and the logistic law. We also propose here a generalization of Gompertz law. Our data analysis permits an evaluation

The Lorenz–Stenflo system is a four-parameter four-dimensional autonomous nonlinear continuous-time dynamical system, derived to model the time evolution of finite amplitude acoustic gravity waves in a rotating atmosphere. In this paper, we propose a modified Lorenz–Stenflo system, where the variable x in the fourth equation of the original Lorenz–Stenflo system was replaced by ln|x|. We investigate

We study the estimated investigative answers for one of the popular models in biomathematics, in particular, the nonlinear Anopheles mosquito model numerically. The optimal control (OC) for nonlinear Anopheles mosquito model is examined. Important and adequate conditions to ensure the presence and singularity of the arrangements of the control issue are assumed. Two control factors are suggested to

We introduce a minesweeper percolation model, in which the system configuration is obtained via an automatic minesweeper process. For a variety of candidate networks with different lattice configurations, our process gives rise to a second-order phase transition. Using Monte Carlo simulation, we identify the critical points implied by giant components. A set of critical exponents are extracted to characterize

The evolution of cultural diversity in some social systems can be observed as the oppositional patterns in different levels, namely, the directions of the trends of diversity in different levels are opposite. In this paper, we propose a payoff-driven metapopulation modeling framework to investigate the origin of the oppositional patterns in the trends of cultural diversity. This model considers the

The interest in learning how innovations spread in our society has led to the development of a variety of theoretical-computational models to describe the mechanisms that govern the diffusion of new ideas among people. In this paper, the diffusion of innovations is addressed with the use of the Axelrod’s cultural model where an agent is represented by a cultural vector of F features, in which each

This paper was aimed to study of the wetting angle (Θ) of Sn–Ag–Cu, Sn–(3−x)Ag–0.5Cu–(x)Bi and Sn–(3−x)Ag–0.5Cu–(x)In (x=0.5, 1 and 2 in wt.%) Pb-free solder alloy systems at various temperatures (250, 280 and 310∘C) on Cu substrate in Ar atmosphere. The new Sn–(3−x)Ag–0.5Cu–xBi and Sn–(3−x)Ag–0.5Cu−(x) In systems, low Ag content quaternary Pb-free solder alloys, were produced by adding 0.5%, 1% and

This paper presents an accurate numerical algorithm to solve the space fractional-order Fisher’s equation where the derivative operator is described in the Caputo derivative sense. In the presented discretization process, first, we use the compact finite difference (CFD) for a semi-discrete occurrence in time derivative and implement the Chebyshev spectral collocation method (CSCM) of the third-kind

Electronic structure, X-ray absorption, and magnetic circular dichroism (XMCD) spectra in the CoFeMnSi Heusler alloy were studied from first principles. Fully relativistic Dirac linear muffin-tin orbital band structure method was implemented with various exchange–correlation functionals tested. The supercell approach was used to study the influence of intersite disorder, at the levels of 6.25%, 12

We introduce a new opinion model to study the opinion evolving in three typical networks (small-world network, scale-free network and highly clustered scale-free network) by employing Monte Carlo numerical simulation. To consider important social influence, we propose a heat bath like optimized opinion model that includes both local and global social impacts. By employing the new opinion model into

With the deepening of research on complex networks, many properties of complex networks are gradually studied, for example, the mean first-passage times, the average receive times and the trapping times. In this paper, we further study the average trapping time of the weighted directed treelike network constructed by an iterative way. Firstly, we introduce our model inspired by trade network, each

Droplet impact on elastic beams is considered as a novel model of energy transfer which is a promising alternative in applications of energy harvesting. The transient impact process is dominated by the fluid–solid interaction and the capillary effect. The numerical model based on SPH method allows predicting the droplet dynamic behaviors due to super-hydrophobic (SH) surfaces. The predicted results

The accurate positioning of the propagation and diffusion source points of personal information is of great practical significance for the protection of personal information security. Currently, a popular method is to locate the data diffusion source point by deploying a certain number of observers and collecting the data propagation information from observers. In view of the deployment of observers

Recent work on the cascading failure of networks with dependence groups assumes that the number of nodes in each dependence group is equal. In this paper, we construct a model on interdependent networks with dependence groups against cascading failure. The size of dependence group is supposed to obey the Poisson Distribution and the Truncated Normal Distribution, respectively. By applying the tools

Macroscopic growth laws describe in an effective way the underlying complex dynamics of the spreading of infections, as in the case of Covid-19, where the counting of the cumulative number N(t) of detected infected individuals is a generally accepted variable to understand the epidemic phase. However, N(t) does not take into account the unknown number of asymptomatic cases A(t). The considered model

Imposing the magnetic field and dispersion of nanopowders have been discussed in this paper to provide the opportunity for control the fluid movement. The second law components were analyzed and Bejan number was calculated. Outcomes illustrated that augmenting permeability allows improving the nanopowder movement and thinner boundary layer provides denser isotherm which results in greater Nu and lower

Numerical schemes, namely, upwind nonconservative, upwind conservative, Lax–Friedrichs, Lax–Wendroff, MacCormack and Godunov are applied and compared on traffic flow problems. The best scheme, namely, upwind conservative is used for wavelet-optimized method using Daubechies wavelet for numerically solving the same traffic flow problems. Numerical results corresponding to the traffic flow problem with

Breast cancer is a common malignant tumor of which pathogenic genes are widely studied. Since gene pairs are considered as biomarkers to identify cancer patients, in this paper, we use information theory to study the collaboration features of gene pairs. The measure of synergy based on mutual information (MI) is introduced to determine whether genes collaborate with each other in breast cancer. Part

The honk effect is not uncommon in the real traffic and may exert great influence on the stability of traffic flow. As opposed to the linear description of the traditional one-dimensional lattice hydrodynamic model, the high-dimensional lattice hydrodynamic model is a gridded analysis of the real traffic environment, which is a generalized form of the one-dimensional lattice model. Meanwhile, the high-dimensional

In order to simulate rigidly rotating polytropes, we have simulated systems of N point particles, with N up to 1800. Two particles at a distance r interact by an attractive potential −1∕r and a repulsive potential 1∕r2. The repulsion simulates the pressure in a polytropic gas of polytropic index 3∕2. We take the total angular momentum L to be conserved, but not the total energy E. The particles are

Due to the heterogeneity of strategy updating rules progressively destroying the cluster of cooperators, cooperation would be heavily suppressed when players adopt mixed strategy updating rules. Thus, how to improve the emergence of cooperation with the scenario of heterogeneous strategy updating rules becomes an important open issue. In this paper, we introduce the memory factor into the game model

Slug flow is a flow pattern which occurs in conveyance systems containing a two phase-fluid flow. Large air bubbles entrapped along these systems interrupt the flow and conduct to undesirable pressures and their fluctuations. Most of the previous concerning studies on slug flow phenomenon were performed in micro-channels with small scales in which the expansion of the air bubbles was negligible. In

High noise and strong volatility are the typical characteristics of financial time series. Combined with pseudo-randomness, nonsteady and self-similarity exhibiting in different time scales, it is a challenging issue for the pattern analysis of financial time series. Different from the existing works, in this paper, financial time series are converted into granular complex networks, based on which

Passengers’ boarding time interval is of great significance for analysis of collective mobility behaviors. In this paper, we empirically investigate the boarding time interval of mobility behaviors based on three large-scale reservation records of passengers traveling by three different types of transportation from a travel agency platform, namely airplane, intercity bus and car rental. The statistical

Urban road network (referred to as the road network) is a complex and highly sparse network. Link prediction of the urban road network can reasonably predict urban structural changes and assist urban designers in decision-making. In this paper, a new link prediction model ASFC is proposed for the characteristics of the road network. The model first performs network embedding on the road network through

In this paper, the interplay of epidemic spreading and the strategy-mixed awareness diffusion within the framework of multiplex networks is studied. In the model, epidemics can spread through a physical-contact layer and the awareness can diffuse through a virtual-contact layer. Each node on physical-contact layer is randomly matched one-to-one with a node of virtual-contact layer, but the connectivity

Structural optimization of ternary Cu–Ag–Au nanoalloys with 38 and 55 atoms was performed using the basin-hopping algorithm and the Gupta many-body potential was adopted to model interatomic interactions. The optimization results show that, while the Ag atoms prefer to segregate to the surface, Cu atoms were located at the core of the nanoalloy due to the higher surface and cohesive energy, whereas

Heat and drag reduction on the nose cone is a significant issue for increasing the speed of the supersonic vehicles. In this paper, computational fluid dynamic method is applied to investigate the thermal and drag coefficient on the sharp nose cone with different cavity shapes. In order to simulate our model, the CFD method with SST turbulence model is applied to study the flow feature and temperature

CVFEM usage for modeling of nanomaterial flow style in a permeable elliptical tank including Lorentz effect was scrutinized in the current research. Hybrid material with use of homogeneous model was applied and radiation term has been involved in governing equations. Outputs have been depicted in contours and plots. In addition, a new formula for Nu was reported. Augment of Nu by considering greater

Three-dimensional steady state numerical simulations are carried out from seven protruding IC chips (Aluminium) of different sizes mounted at various positions on a high-power SMPS board (Bakelite) cooled under forced convection (q=380W/cm2, V=25m/s). The objective is to predict the temperature distribution of these IC chips and to determine their optimal arrangement on the SMPS board; that will have

Recent research has attempted to clarify the contributions of several mutational processes, such as substitutions or homologous recombination. Simplistic, tractable protein models, which determine the compact native structure phenotype from the sequence genotype, are well-suited to such studies. In this paper, we use a lattice-protein model to examine the effects of point mutation and homologous recombination