Analysis of CH_(4) and H_(2) Adsorption on Heterogeneous Shale Surfaces Using aMolecular Dynamics Approach

Determining the adsorption of shale gas on complex surfaces remains a challenge in molecular simulation studies.Difficulties essentially stem from the need to create a realistic shale structure model in terms of mineral heterogeneityand multiplicity.Moreover,precise characterization of the competitive adsorption of hydrogen andmethane in shale generally requires the experimental determination of the related adsorptive capacity.In thisstudy,the adsorption of adsorbates,methane(CH_(4)),and hydrogen(H_(2))on heterogeneous shale surface modelsof Kaolinite,Orthoclase,Muscovite,Mica,C_(60),and Butane has been simulated in the frame of a moleculardynamic’s numerical technique.The results show that these behaviors are influenced by pressure and potentialenergy.On increasing the pressure from 500 to 2000 psi,the sorption effect for CH_(4)significantly increasesbut shows a decline at a certain stage(if compared to H_(2)).The research findings also indicate that raw shalehas a higher capacity to adsorb CH_(4)compared to hydrogen.However,in shale,this difference is negligible.

Semiclassical approach to spin dynamics of a ferromagnetic S = 1 chain

Motivated by recent experimental progress on the quasi-one-dimensional quantum magnet Ni Nb2O6, we study the spin dynamics of an S = 1 ferromagnetic Heisenberg chain with single-ion anisotropy by using a semiclassical molecular dynamics approach. This system undergoes a quantum phase transition from a ferromagnetic to a paramagnetic state under a transverse magnetic field, and the magnetic response reflecting this transition is well described by our semiclassical method.We show that at low temperature the transverse component of the dynamical structure factor depicts clearly the magnon dispersion, and the longitudinal component exhibits two continua associated with single-and two-magnon excitations,respectively. These spin excitation spectra show interesting temperature dependence as effects of magnon interactions. Our findings shed light on the experimental detection of spin excitations in a large class of quasi-one-dimensional magnets.

Controlling the dynamic behavior of decentralized cluster through centralized approaches

How to control the dynamic behavior of large-scale artificial active matter is a critical concern in experimental research on soft matter, particularly regarding the emergence of collective behaviors and the formation of group patterns. Centralized systems excel in precise control over individual behavior within a group, ensuring high accuracy and controllability in task execution. Nevertheless, their sensitivity to group size may limit their adaptability to diverse tasks. In contrast, decentralized systems empower individuals with autonomous decision-making, enhancing adaptability and system robustness. Yet, this flexibility comes at the cost of reduced accuracy and efficiency in task execution. In this work, we present a unique method for regulating the centralized dynamic behavior of self-organizing clusters based on environmental interactions. Within this environment-coupled robot system, each robot possesses similar dynamic characteristics, and their internal programs are entirely identical. However, their behaviors can be guided by the centralized control of the environment, facilitating the accomplishment of diverse cluster tasks. This approach aims to balance the accuracy and flexibility of centralized control with the robustness and task adaptability of decentralized control. The proactive regulation of dynamic behavioral characteristics in active matter groups, demonstrated in this work through environmental interactions, holds the potential to introduce a novel technological approach and provide experimental references for studying the dynamic behavior control of large-scale artificial active matter systems.

An isogeometric analysis approach for dynamic response of doubly-curved magneto electro elastic composite shallow shell subjected to blast loading

For the first time, the isogeometric analysis(IGA) approach is used to model and analyze free and forced vibrations of doubly-curved magneto-electro-elastic(MEE) composite shallow shell resting on the visco-Pasternak foundation in a hygro-temperature environment. The doubly-curved MEE shallow shell types include spherical shallow shell, cylindrical shallow shell, saddle shallow shell, and elliptical shallow shell subjected to blast load are investigated. The Maxwell equation and electromagnetic boundary conditions are used to determine the vary of the electric and magnetic potentials. The MEE shallow shell's equations of motion are derived from Hamilton's principle and refined higher-order shear theory. Then, the IGA method is used to derive the laws of natural frequencies and dynamic responses of the shell under various boundary conditions. The accuracy of the model and method is verified through reliable numerical comparisons. Aside from this, the impact of the input parameters on the free and forced vibration of the doubly-curved MEE shallow shell is examined in detail. These results may be useful in the design and manufacture of military structures such as warships, fighter aircraft, drones and missiles.

Fitness Sharing Chaotic Particle Swarm Optimization (FSCPSO): A Metaheuristic Approach for Allocating Dynamic Virtual Machine (VM) in Fog Computing Architecture

In recent decades,fog computing has played a vital role in executing parallel computational tasks,specifically,scientific workflow tasks.In cloud data centers,fog computing takes more time to run workflow applications.Therefore,it is essential to develop effective models for Virtual Machine(VM)allocation and task scheduling in fog computing environments.Effective task scheduling,VM migration,and allocation,altogether optimize the use of computational resources across different fog nodes.This process ensures that the tasks are executed with minimal energy consumption,which reduces the chances of resource bottlenecks.In this manuscript,the proposed framework comprises two phases:(i)effective task scheduling using a fractional selectivity approach and(ii)VM allocation by proposing an algorithm by the name of Fitness Sharing Chaotic Particle Swarm Optimization(FSCPSO).The proposed FSCPSO algorithm integrates the concepts of chaos theory and fitness sharing that effectively balance both global exploration and local exploitation.This balance enables the use of a wide range of solutions that leads to minimal total cost and makespan,in comparison to other traditional optimization algorithms.The FSCPSO algorithm’s performance is analyzed using six evaluation measures namely,Load Balancing Level(LBL),Average Resource Utilization(ARU),total cost,makespan,energy consumption,and response time.In relation to the conventional optimization algorithms,the FSCPSO algorithm achieves a higher LBL of 39.12%,ARU of 58.15%,a minimal total cost of 1175,and a makespan of 85.87 ms,particularly when evaluated for 50 tasks.

A Population Dynamics Approach to the Distribution of Space Debris in Low Earth Orbit

The presence of the debris in the Earth’s orbit poses a significant risk to human activity in outer space.This debris population continues to grow due to ground launches,the loss of external parts from space ships,and uncontrollable collisions between objects.A computationally feasible continuum model for the growth of the debris population and its spatial distribution is therefore critical.Here we propose a diffusion-collision model for the evolution of the debris density in the low-Earth orbit and its dependence on the ground-launch policy.We parametrize this model and test it against data from publicly available object catalogs to examine timescales for the uncontrolled growth.Finally,we consider sensible launch policies and cleanup strategies and how they reduce the future risk of collisions with active satellites or space ships.

Insight of Natural Compounds Halimane Diterpenoids against Mycobacterium tuberculosis: Virtual Screening, DFT, Drug-Likeness, and Molecular Dynamics Approach

In the purpose to design novel antituberculosis (anti-TB) drugs agents against Mycobacterium tuberculosis (Mtb), we have built a molecular library around 42 Halimane Diterpenoids isolated from natural sources. Two Mtb enzymes drug targets (Mtb Mycothiol S-transferase and Mtb Homoserine transacetylase) have been adopted. The pharmacological potential was investigated through molecular docking, molecular dynamics simulation, density functional theory (gas phase and water) and ADMET analysis. Our results indicate that (2R,5R,6S)-1,2,3,4,5,6,7,8-octahydro-5-((E)-5-hydroxy-3-methylpent-3-enyl)-1,1,5,6-tetramethylnaphtha-lene-2-ol (compound 20) has displays higher docking score with each of the selected drug targets. In addition, this molecule exhibits a satisfactory drug potential activity and a good chemical reactivity. Its improved kinetic stability in the Mtb Mycothiol S-transferase enzyme reflects its suitability as a novel inhibitor of Mtb growth. This molecule has displayed a good absorption potential. Our results also show that its passive passage of the intestinal permeability barrier is more effective than that of first-line treatments (ethambutol, isoniazid). In the same way, this anti-TB druglikeness has shown to be able to cross the blood brain barrier.

Accelerated Primal-Dual Projection Neurodynamic Approach With Time Scaling for Linear and Set Constrained Convex Optimization Problems

The Nesterov accelerated dynamical approach serves as an essential tool for addressing convex optimization problems with accelerated convergence rates.Most previous studies in this field have primarily concentrated on unconstrained smooth con-vex optimization problems.In this paper,on the basis of primal-dual dynamical approach,Nesterov accelerated dynamical approach,projection operator and directional gradient,we present two accelerated primal-dual projection neurodynamic approaches with time scaling to address convex optimization problems with smooth and nonsmooth objective functions subject to linear and set constraints,which consist of a second-order ODE(ordinary differential equation)or differential conclusion system for the primal variables and a first-order ODE for the dual vari-ables.By satisfying specific conditions for time scaling,we demonstrate that the proposed approaches have a faster conver-gence rate.This only requires assuming convexity of the objective function.We validate the effectiveness of our proposed two accel-erated primal-dual projection neurodynamic approaches through numerical experiments.

Pickering emulsion transport in skeletal muscle tissue:A dissipative particle dynamics simulation approach

Lymph node targeting is a commonly used strategy for particulate vaccines,particularly for Pickering emulsions.However,extensive research on the internal delivery mechanisms of these emulsions,especially the complex intercellular interactions of deformable Pickering emulsions,has been surprisingly sparse.This gap in knowledge holds significant potential for enhancing vaccine efficacy.This study aims to address this by summarizing the process of lymph-node-targeting transport and introducing a dissipative particle dynamics simulation method to evaluate the dynamic processes within cell tissue.The transport of Pickering emulsions in skeletal muscle tissue is specifically investigated as a case study.Various factors impacting the transport process are explored,including local cellular tissue environmental factors and the properties of the Pickering emulsion itself.The simulation results primarily demonstrate that an increase in radial repulsive interaction between emulsion particles can decrease the transport efficiency.Additionally,larger intercellular gaps also diminish the transport efficiency of emulsion droplet particles due to the increased motion complexity within the intricate transport space compared to a single channel.This study sheds light on the nuanced interplay between engineered and biological systems influencing the transport dynamics of Pickering emulsions.Such insights hold valuable potential for optimizing transport processes in practical biomedical applications such as drug delivery.Importantly,the desired transport efficiency varies depending on the specific application.For instance,while a more rapid transport might be crucial for lymph-node-targeted drug delivery,certain applications requiring a slower release of active components could benefit from the reduced transport efficiency observed with increased particle repulsion or larger intercellular gaps.

Computational Fluid Dynamics Approach for Predicting Pipeline Response to Various Blast Scenarios: A Numerical Modeling Study

Recent industrial explosions globally have intensified the focus in mechanical engineering on designing infras-tructure systems and networks capable of withstanding blast loading.Initially centered on high-profile facilities such as embassies and petrochemical plants,this concern now extends to a wider array of infrastructures and facilities.Engineers and scholars increasingly prioritize structural safety against explosions,particularly to prevent disproportionate collapse and damage to nearby structures.Urbanization has further amplified the reliance on oil and gas pipelines,making them vital for urban life and prime targets for terrorist activities.Consequently,there is a growing imperative for computational engineering solutions to tackle blast loading on pipelines and mitigate associated risks to avert disasters.In this study,an empty pipe model was successfully validated under contact blast conditions using Abaqus software,a powerful tool in mechanical engineering for simulating blast effects on buried pipelines.Employing a Eulerian-Lagrangian computational fluid dynamics approach,the investigation extended to above-surface and below-surface blasts at standoff distances of 25 and 50 mm.Material descriptions in the numerical model relied on Abaqus’default mechanical models.Comparative analysis revealed varying pipe performance,with deformation decreasing as explosion-to-pipe distance increased.The explosion’s location relative to the pipe surface notably influenced deformation levels,a key finding highlighted in the study.Moreover,quantitative findings indicated varying ratios of plastic dissipation energy(PDE)for different blast scenarios compared to the contact blast(P0).Specifically,P1(25 mm subsurface blast)and P2(50 mm subsurface blast)showed approximately 24.07%and 14.77%of P0’s PDE,respectively,while P3(25 mm above-surface blast)and P4(50 mm above-surface blast)exhibited lower PDE values,accounting for about 18.08%and 9.67%of P0’s PDE,respectively.Utilising energy-absorbing materials such as thin coatings of ultra-high-strength concrete,metallic foams,carbon fiber-reinforced polymer wraps,and others on the pipeline to effectively mitigate blast damage is recommended.This research contributes to the advancement of mechanical engineering by providing insights and solutions crucial for enhancing the resilience and safety of underground pipelines in the face of blast events.

A Novel Inverse-Free Neurodynamic Approach for Solving Absolute Value Equations

We propose a novel inverse-free neurodynamic approach (NIFNA) for solving absolute value equations (AVE). The NIFNA guarantees global convergence and notably improves convergence speed by achieving fixed-time convergence. To validate the theoretical findings, numerical simulations are conducted, demonstrating the effectiveness and efficiency of the proposed NIFNA.

A novel approach to the dynamic response analysis of Euler-Bernoulli beams resting on a Winkler soil model and subjected to impact loads

This work presents a novel approach to the dynamic response analysis of a Euler-Bernoulli beam resting on a Winkler soil model and subjected to an impact loading.The approach considers that damping has much less importance in controlling the maximum response to impulsive loadings because the maximum response is reached in a very short time,before the damping forces can dissipate a significant portion of the energy input into the system.The development of two sine series solutions,relating to different types of impulsive loadings,one involving a single concentrated force and the other a distributed line load,are presented.This study revealed that when a simply supported Euler-Bernoulli beam,resting on a Winkler soil model,is subject to an impact load,the resulting vertical displacements,bending moments and shear forces produced along the span of the beam are considerably affected.In particular,the quantification of this effect is best observed,relative to the corresponding static solution,via an amplification factor.The computed impact amplification factors,for the sub-grade moduli used in this study,were in magnitude greater than 2,thus confirming the multiple-degree-of-freedom nature of the problem.

Improving the accuracy of precipitation estimates in a typical inland arid area of China using a dynamic Bayesian model averaging approach

Xinjiang Uygur Autonomous Region is a typical inland arid area in China with a sparse and uneven distribution of meteorological stations,limited access to precipitation data,and significant water scarcity.Evaluating and integrating precipitation datasets from different sources to accurately characterize precipitation patterns has become a challenge to provide more accurate and alternative precipitation information for the region,which can even improve the performance of hydrological modelling.This study evaluated the applicability of widely used five satellite-based precipitation products(Climate Hazards Group InfraRed Precipitation with Station(CHIRPS),China Meteorological Forcing Dataset(CMFD),Climate Prediction Center morphing method(CMORPH),Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks-Climate Data Record(PERSIANN-CDR),and Tropical Rainfall Measuring Mission Multi-satellite Precipitation Analysis(TMPA))and a reanalysis precipitation dataset(ECMWF Reanalysis v5-Land Dataset(ERA5-Land))in Xinjiang using ground-based observational precipitation data from a limited number of meteorological stations.Based on this assessment,we proposed a framework that integrated different precipitation datasets with varying spatial resolutions using a dynamic Bayesian model averaging(DBMA)approach,the expectation-maximization method,and the ordinary Kriging interpolation method.The daily precipitation data merged using the DBMA approach exhibited distinct spatiotemporal variability,with an outstanding performance,as indicated by low root mean square error(RMSE=1.40 mm/d)and high Person's correlation coefficient(CC=0.67).Compared with the traditional simple model averaging(SMA)and individual product data,although the DBMA-fused precipitation data were slightly lower than the best precipitation product(CMFD),the overall performance of DBMA was more robust.The error analysis between DBMA-fused precipitation dataset and the more advanced Integrated Multi-satellite Retrievals for Global Precipitation Measurement Final(IMERG-F)precipitation product,as well as hydrological simulations in the Ebinur Lake Basin,further demonstrated the superior performance of DBMA-fused precipitation dataset in the entire Xinjiang region.The proposed framework for solving the fusion problem of multi-source precipitation data with different spatial resolutions is feasible for application in inland arid areas,and aids in obtaining more accurate regional hydrological information and improving regional water resources management capabilities and meteorological research in these regions.

Set-Membership Filtering Approach to Dynamic Event-Triggered Fault Estimation for a Class of Nonlinear Time-Varying Complex Networks

The present study addresses the problem of fault estimation for a specific class of nonlinear time-varying complex networks,utilizing an unknown-input-observer approach within the framework of dynamic event-triggered mechanism(DETM).In order to optimize communication resource utilization,the DETM is employed to determine whether the current measurement data should be transmitted to the estimator or not.To guarantee a satisfactory estimation performance for the fault signal,an unknown-input-observer-based estimator is constructed to decouple the estimation error dynamics from the influence of fault signals.The aim of this paper is to find the suitable estimator parameters under the effects of DETM such that both the state estimates and fault estimates are confined within two sets of closed ellipsoid domains.The techniques of recursive matrix inequality are applied to derive sufficient conditions for the existence of the desired estimator,ensuring that the specified performance requirements are met under certain conditions.Then,the estimator gains are derived by minimizing the ellipsoid domain in the sense of trace and a recursive estimator parameter design algorithm is then provided.Finally,a numerical example is conducted to demonstrate the effectiveness of the designed estimator.

Adaptable and Dynamic Access Control Decision-Enforcement Approach Based on Multilayer Hybrid Deep Learning Techniques in BYOD Environment

Organizations are adopting the Bring Your Own Device(BYOD)concept to enhance productivity and reduce expenses.However,this trend introduces security challenges,such as unauthorized access.Traditional access control systems,such as Attribute-Based Access Control(ABAC)and Role-Based Access Control(RBAC),are limited in their ability to enforce access decisions due to the variability and dynamism of attributes related to users and resources.This paper proposes a method for enforcing access decisions that is adaptable and dynamic,based on multilayer hybrid deep learning techniques,particularly the Tabular Deep Neural Network Tabular DNN method.This technique transforms all input attributes in an access request into a binary classification(allow or deny)using multiple layers,ensuring accurate and efficient access decision-making.The proposed solution was evaluated using the Kaggle Amazon access control policy dataset and demonstrated its effectiveness by achieving a 94%accuracy rate.Additionally,the proposed solution enhances the implementation of access decisions based on a variety of resource and user attributes while ensuring privacy through indirect communication with the Policy Administration Point(PAP).This solution significantly improves the flexibility of access control systems,making themmore dynamic and adaptable to the evolving needs ofmodern organizations.Furthermore,it offers a scalable approach to manage the complexities associated with the BYOD environment,providing a robust framework for secure and efficient access management.

Complication rates after direct anterior vs posterior approach for hip hemiarthroplasty in elderly individuals with femoral neck fractures

BACKGROUND Dislocation rates after hemiarthroplasty reportedly vary from 1%to 17%.This serious complication is associated with increased morbidity and mortality rates.Approaches to this surgery are still debated,with no consensus regarding the superiority of any single approach.AIM To compare early postoperative complications after implementing the direct anterior and posterior approaches(PL)for hip hemiarthroplasty after femoral neck fractures.METHODS This is a comparative,retrospective,single-center cohort study conducted at a university hospital.Between March 2008 and December 2018,273 patients(a total of 280 hips)underwent bipolar hemiarthroplasties(n=280)for displaced femoral neck fractures using either the PL(n=171)or the minimally invasive direct anterior approach(DAA)(n=109).The choice of approach was related to the surgeons’practices;the implant types were similar and unrelated to the approach.Dislocation rates and other complications were reviewed after a minimum followup of 6 mo.RESULTS Both treatment groups had similarly aged patients(mean age:82 years),sex ratios,patient body mass indexes,and patient comorbidities.Surgical data(surgery delay time,operative time,and blood loss volume)did not differ significantly between the groups.The 30 d mortality rate was higher in the PL group(9.9%)than in the DAA group(3.7%),but the difference was not statistically significant(P=0.052).Among the one-month survivors,a significantly higher rate of dislocation was observed in the PL group(14/154;9.1%)than in the DAA group(0/105;0%)(P=0.002).Of the 14 patients with dislocation,8 underwent revision surgery for recurrent instability(posterior group),and one of them had 2 additional procedures due to a deep infection.The rate of other complications(e.g.,perioperative and early postoperative periprosthetic fractures and infection-related complications)did not differ significantly between the groups.CONCLUSION These findings suggest that the DAA to bipolar hemiarthroplasty for patients with femoral neck fractures is associated with a lower dislocation rate(<1%)than the PL.

Missile guidance law design based on free-time convergent error dynamics

To solve the finite-time error-tracking problem in mis-sile guidance,this paper presents a unified design approach through error dynamics and free-time convergence theory.The proposed approach is initiated by establishing a desired model for free-time convergent error dynamics,characterized by its independence from initial conditions and guidance parameters,and adjustable convergence time.This foundation facilitates the derivation of specific guidance laws that integrate constraints such as leading angle,impact angle,and impact time.The theoretical framework of this study elucidates the nuances and synergies between the proposed guidance laws and existing methodologies.Empirical evaluations through simulation comparisons underscore the enhanced accuracy and adaptability of the proposed laws.

A FLEXIBLE OBJECTIVE-CONSTRAINT APPROACH AND A NEW ALGORITHM FOR CONSTRUCTING THE PARETO FRONT OF MULTIOBJECTIVE OPTIMIZATION PROBLEMS

In this article, a novel scalarization technique, called the improved objective-constraint approach, is introduced to find efficient solutions of a given multiobjective programming problem. The presented scalarized problem extends the objective-constraint problem. It is demonstrated that how adding variables to the scalarized problem, can lead to find conditions for (weakly, properly) Pareto optimal solutions. Applying the obtained necessary and sufficient conditions, two algorithms for generating the Pareto front approximation of bi-objective and three-objective programming problems are designed. These algorithms are easy to implement and can achieve an even approximation of (weakly, properly) Pareto optimal solutions. These algorithms can be generalized for optimization problems with more than three criterion functions, too. The effectiveness and capability of the algorithms are demonstrated in test problems.

Community structure and species diversity dynamics of a subtropical evergreen broad-leaved forest in China:2005 to 2020

Here,we characterize the temporal and spatial dynamics of forest community structure and species diversity in a subtropical evergreen broad-leaved forest in China.We found that community structure in this forest changed over a 15-year period.Specifically,renewal and death of common species was large,with the renewal of individuals mainly concentrated within a few populations,especially those of Aidia canthioides and Cryptocarya concinna.The numbers of individual deaths for common species were concentrated in the small and mid-diameter level.The spatial distribution of community species diversity fluctuated in each monitoring period,showing a more dispersed diversity after the 15-year study period,and the coefficient of variation on quadrats increased.In 2010,the death and renewal of the community and the spatial variation of species diversity were different compared to other survey years.Extreme weather may have affected species regeneration and community stability in our subtropical monsoon evergreen broad-leaved forests.Our findings suggest that strengthening the monitoring and management of the forest community will help better understand the long-and short-term causes of dynamic fluctuations of community structure and species diversity,and reveal the factors that drive changes in community structure.

Superiority of a Convolutional Neural Network Model over Dynamical Models in Predicting Central Pacific ENSO

The application of deep learning is fast developing in climate prediction,in which El Ni?o–Southern Oscillation(ENSO),as the most dominant disaster-causing climate event,is a key target.Previous studies have shown that deep learning methods possess a certain level of superiority in predicting ENSO indices.The present study develops a deep learning model for predicting the spatial pattern of sea surface temperature anomalies(SSTAs)in the equatorial Pacific by training a convolutional neural network(CNN)model with historical simulations from CMIP6 models.Compared with dynamical models,the CNN model has higher skill in predicting the SSTAs in the equatorial western-central Pacific,but not in the eastern Pacific.The CNN model can successfully capture the small-scale precursors in the initial SSTAs for the development of central Pacific ENSO to distinguish the spatial mode up to a lead time of seven months.A fusion model combining the predictions of the CNN model and the dynamical models achieves higher skill than each of them for both central and eastern Pacific ENSO.