Computer Simulation Research Articles

Saltwater intrusion simulations in coastal karstic aquifers related to climate change scenarios

Coastal zones are crucial ecosystems supporting significant biodiversity and pertinent socio-economic activities. However, anthropogenic development contributes to socio-environmental complexities, particularly public water supply threats caused by climate change. This research presents a case study on the north-western coast of Yucatan, Mexico, which models potential saltwater intrusion in groundwater for multiple projections of sea level rise and recharge change due to climate change and its implications for the public water supply of the regional population and ecosystem. For this purpose, a previously calibrated and validated numerical model is employed, adapting its boundary conditions, keeping its calibrated hydrogeologic parameters, and considering the 2040 and 2100 climate change projections. Simulation results show that under these projections, significant saltwater intrusion may occur, reducing freshwater thickness due to increased salinity in groundwater and a loss of freshwater sources resulting from brackish-saline wedge intrusion. These scenarios are of particular concern as freshwater in this coastal region is the main source for public water supply and for freshwater input in coastal ecosystems. Moreover, this study underscores the susceptibility of karstic aquifers to salinization, especially in the face of rising sea levels, given their unique hydrogeological characteristics and substantial responsiveness to marine forcings. In spite of the uncertainties in global climate change predictions, this study enhances our understanding of the dynamics of these unique aquifers, and presents future saltwater intrusion projections that offer valuable technical insights to design and implement pertinent and resilient coastal aquifer management strategies.

Influence of Process Parameters on Flatness During Single-Track Laser Cladding

During the laser cladding process, poor flatness of the cladding track can cause the surface structure to be uneven or corrugated, affecting the geometrical accuracy of the workpiece. Adjusting process parameters is an effective way to achieve high cladding track flatness. This study established a mesoscale model of the laser cladding process for CoCrMoSi powder to simulate the formation of a single cladding track. Subsequently, the formation mechanism of cladding track flatness was revealed by analyzing the flow within the molten pool and the solidification behavior of the molten pool edge. The influences of laser power, scanning speed, and powder feeding rate on flatness were determined through simulations and physical experiments. Finally, a parameter window of flatness was established using simulation and experimental results. The window indicates that high flatness is achieved with a high scanning speed (v > 260 mm/min), high laser power (P > 2300 W), and low powder feed rate (Pf < 5.5 g/min). The accuracy of the numerical model was verified by comparing the simulated results with the experimental measurements.

WATERFALL MODEL OVER PCD.UCT MODEL REVIEW

Abstract. The software development life cycle (SDLC) has seen the evolution of numerous models, each tailored to meet specific project needs. Among these, the Waterfall Model has been a longstanding, traditional approach, characterized by its linear and sequential phases. In contrast, the PcD.UcT Model, a relatively newer framework, advocates for a more iterative and user-centered approach. This paper presents a comprehensive review of the Waterfall Model, evaluating its strengths and limitations in modern software development. It contrasts these findings with the PcD.UcT Model, analyzing how its principles better align with contemporary project demands, particularly in terms of flexibility, user engagement, and iterative refinement. Through this comparative analysis, the paper aims to provide insights into the applicability and effectiveness of each model, offering guidance for software development teams in choosing the appropriate methodology for their projects. Since the waterfall development methodology, the key requirements in system development strategies have shifted from processes to users. Because the process as well as the customers are both equally important, employing either a predictive or an adaptive methodology is extremely difficult. The primary goal of this work is mainly combining and then evaluating all the relevant methodologies in order to create a HydroGIS that accurately automates the complexities of the hydrology process in a HydroGIS environment while meeting all user requirements.

Shaking Table Test and Numerical Modeling of Seismic Behavior of Rectangular Tunnel Structures Embedded in Soft Clay

In this paper, a series of 1-g shaking table model tests were carried out to investigate the seismic behavior of a relatively stiff rectangular tunnel structure installed in soft clay bed, accounting for different ground motions with varying peak accelerations. Using a validated numerical analysis procedure, a suite of three-dimensional (3D) finite element (FE) analyses was performed to systematically study the factors of tunnel burial depth, seismic intensity, flexural rigidity of the middle column and tunnel wall thickness on the seismic response of rectangular tunnel structures installed in clayey ground. It was found that, with the increasing burial depth, the seismic response of rectangular tunnel structure became more intense due to the increased inertial force arising from the overlying clay; in terms of improving the seismic performance of tunnel structure, increasing tunnel wall thickness seemed more effective than increasing flexural rigidity of the middle column. Furthermore, it was found that the existing simplified approaches generally tended to overestimate the earthquake-induced racking distortions of rectangular tunnels installed in clayey ground. A new semi-empirical relationship was derived for better correlating the racking ratio with flexibility ratio for rectangular tunnels embedded in soft clays, which could provide a useful reference for the seismic design and risk assessment of similar clay-tunnel systems.

Numerical simulation of the main stage of a lightning

We present a numerical model of the main stage of a lightning discharge. Within the framework of the developed model, evolution of parameters of the current channel upon the return stroke (the lightning main stage) is described by the system of equations governing conservation of mass, momentum, total energy, along with the transmission-line equations for determining the electric potential and the total current in each channel cross section. The main characteristics of lightning at the stage of the return stroke detectable experimentally, such as gas heating in the channel to temperatures in the range of 10–40 kK, the fundamental possibility of propagation of the potential-gradient wave at a speed varying from several hundredth to several tenths of the speed of light, and the possibility of the return-stroke wave propagating a relatively long distance without substantial attenuation, are demonstrated numerically. The conclusion that the developed physical and numerical model of the lightning discharge describes physical processes that occur under real conditions qualitatively correctly can be drawn based on the results on simulation of lightning discharges of various intensity.

Advanced modeling of seepage dynamics and control strategies in thick coal seams under high-confined aquifer conditions: A case study

The hydraulic behavior of the connection between the floor failure area and the aquifer water-conductive zone is considered to be the root cause of mine water inrush disasters. Therefore, unraveling the floor failure mechanism is particularly important for safe coal mining above the high-confined aquifer. This paper estimates the depth of the baseplate failure to be 18.4–27.3 m by combining network parallel electrical methods with drilling visualization technology. The FLAC3D-based numerical model considering the strain hardening of caved rock was established with rigorous calibration and verification. The results showed that the depth of damage to the floor is 23.1 m, and the dominating floor failure mechanism is shear failure caused by the vertical stress exceeding the rock bearing capacity. Moreover, the stress recovery process of the baseplate does not alter the failure morphology of the baseplate. Based on the above research findings, the in-situ floor control technique of the working face No. 4305 is proposed and practiced in the field. Field measurements show that floor control performance is satisfactory with water inflow in the goaf being roughly stable at 50 m3/h. Our results can provide useful reference for safe mining above confined aquifer and prevention and mitigation of water-related hazards.

On the Mathematical Modeling of a Fire Thermogasodynamic Pattern and Using a Priory Calculation of Fire Hazard Factors in Forensic Fire Examination

The article presents the disadvantages of the “risk analysis” methodology for fire safety assessment of buildings and its inadmissibility in forensic practice. The option of numerical modeling application for fire hazards evaluation in forensic fire-examination is analyzed.

Scaling behaviour of rotating convection in a spherical shell with different Prandtl numbers

Rayleigh–Bénard convection in a rotating spherical shell provides a simplified model for convective dynamics of planetary and stellar interiors. Over the past decades, the problem has been studied extensively via numerical simulations, but most previous simulations set the Prandtl number $Pr$ to unity. In this study we build more than 200 numerical models of rotating convection in a spherical shell over a wide range of $Pr$ ( $10^{-2}\le Pr \le 10^2$ ). By increasing the Rayleigh number $Ra$ , we characterise four different flow regimes, starting from the linear onset to multiple modes, then transitioning to the geostrophic turbulence and eventually approaching the weakly rotating regime. In the multiple modes regime, we show evidence of triadic resonances in numerical models with different $Pr$ , which may provide a generic mechanism for the transition from laminar to turbulence in rotating convection. We analyse scaling behaviours of the heat transfer and convective flow speeds in numerical simulations, paying particular attention to the $Pr$ dependence. We find that the so-called diffusion-free scaling for the heat transfer cannot reconcile all numerical models with different $Pr$ in the geostrophic turbulence regime. However, the characteristic flow speeds at different $Pr$ roughly follow a unified scaling that can be described by visco-Archimedean–Coriolis force balances, though the scaling tends to approach the Coriolis-inertial-Archimedean force balance at low $Pr$ . We also show that transition behaviours from rotating to non-rotating convection depend on $Pr$ . The transition criteria based on heat transfer and flow morphology would be rather different when $Pr>1$ , but the two criteria are consistent for cases with $Pr\le 1$ . Both scaling behaviours and transition behaviours suggest that the heat transfer is controlled by the boundary layers while the convective flow speeds are mainly determined by the force balance in the bulk for cases with $Pr>1$ , which is in line with recent experimental results with moderate to high $Pr$ . For cases with $Pr \le 1$ , both the heat transfer and convective velocities are approaching the inviscid dynamics in the bulk. We also briefly analysed the magnitude and scaling of zonal flows at different $Pr$ , showing that the zonal flow amplitude rapidly increases as $Pr$ decreases.

A Systematic Review of the Current State of Numerical Groundwater Modeling in American Countries: Challenges and Future Research

In arid and semi-arid regions, groundwater is often the only available water source. However, overexploitation and pollution have led to a decrease in groundwater quantity and quality. Therefore, the proper management of groundwater resources is essential to promote sustainable development. Numerical simulation models (NSMs) have emerged as a valuable tool to address these challenges due to their ability to accurately and efficiently model groundwater systems. This study provides a comprehensive systematic review to evaluate the current knowledge on using numerical groundwater flow models for planning and water resource management in countries in the American region. A total of 166 research articles were published between the years 2000 and 2024. We analyzed and summarized details such as the study regions, numerical simulation methods and applied software, performance metrics, modeling units, modeling limitations, and prediction scenarios. In addition, we discuss alternatives to address the constraints and difficulties and suggest recommendations for future research. The continued research, improvement, and development of numerical groundwater models are essential to ensure the sustainability of groundwater resources.

New Two-Dimensional Materials Obtained by Functionalization of Boron Graphdiyne Layers with Nickel

The decoration of hexagonal boron graphdiyne (BGDY) layers with Ni atoms has been investigated by density functional calculations. For one, two, and three Ni atoms per hexagon, the BGDY structure is approximately maintained. Decoration with six Ni atoms per hexagon leads to the formation of a novel, very stable two-dimensional material in which the hexagonal structure of BGDY is substantially distorted. The Ni-doped materials have a semiconductor character, and the electronic band gap width can be tailored by varying the amount of adsorbed Ni. BGDY-2Ni, BGDY-3Ni, and BGDY-6Ni have electronic band gaps promising for infrared detectors. This work shows that computer simulation helps to discover new materials by the functionalization of layered carbon materials with metal atoms.

Real Time, Simulated Time and Two Types of Time Travel

ABSTRACTThis article argues that the possibility that we live in a computer simulation has important implications for the philosophy of time and time travel. Section 2 distinguishes real time from simulated time. Section 3 argues that whatever is true of real time, simulated time realises a functional analogue within real time to versions of presentism in which features of the present play the role of an uninstantiated past and future. Section 4 then argues that whereas real time travel paradoxes depend upon the ultimate nature of ‘base‐reality’ and consistency with observed physics, the possibility of simulated time travel depends instead on a simulation's code, which may allow seemingly ‘miraculous’ exceptions to ‘physical laws’. Finally, Section 5 concludes that if miraculous forms of time travel are discovered, this may provide evidence by inference to the best explanation that we live in a simulation.

Bottom–up propagation of synoptic wind intensification and relaxation in the planktonic ecosystem of the South Senegalese Upwelling Sector

ABSTRACT Synoptic intensification or relaxation of upwelling favorable winds are major sources of variability in eastern boundary upwelling systems. This study aims to investigate their impact on the planktonic ecosystem of the South Senegalese Upwelling Sector (SSUS), located south of the Cape Verde peninsula over a wide and shallow continental shelf. Numerical experiments using a three-dimensional coupled physical–biogeochemical model with four plankton functional types simulated the response of the coastal planktonic ecosystem to idealized synoptic (∼10 days) wind intensification and relaxation of the same amplitude. We find that these perturbations induce spatio-temporal oscillations of plankton concentrations. Zooplankton response occurred with a time lag that manifests itself in space as an equatorward/downstream shift in distribution relative to phytoplankton. Overall, the transmission of the synoptic perturbation from the physics to zooplankton is characterized by a damping in relative anomalies. All these elements and the weakness of the asymmetries in the biogeochemical/planktonic ecosystem responses between intensification and relaxation events support the hypothesis that synoptic variability has limited impact on the climatological state of low–latitude upwelling systems such as the SSUS. PLAIN LANGUAGE SUMMARY In some coastal regions of the world such as off Senegal, winds preferentially blow alongshore and induce subsurface, cold and nutrient rich waters to rise to the surface layer and favor the development of plankton blooms. These so-called upwelling favorable winds are not steady. Their fluctuations produce dynamical and biogeochemical variability over a broad range of scales. Here, we studied the biogeochemical effect of 10-day (i.e. weather or synoptic) wind fluctuations over the southern Senegal continental shelf. We used a numerical model with a simplified planktonic ecosystem consisting of two phytoplankton and two zooplankton size classes. The wind perturbations modulate ocean physics, the enrichment of the sun-lit surface layer in nutrients and the planktonic ecosystem. The plankton’s response to wind fluctuations exhibited oscillations more complex and relatively less intense than those of the wind. The modest effect of the studied short-term wind fluctuations on plankton found in this study may be specific to low-latitude coastal oceans with wide continental shelves.

Modelling of Indoor Air Quality and Thermal Comfort in Passive Buildings Subjected to External Warm Climate Conditions

Air renewal rate is an important parameter for both indoor air quality and thermal comfort. However, to improve indoor thermal comfort, the air renewal rate to be used, in general, will depend on the outdoor air temperature values. This article presents the modelling of indoor air quality and thermal comfort for occupants of a passive building subject to a climate with warm conditions. The ventilation and shading strategies implemented for the interior spaces are then considered, as well as the use of an underground space for storing cooled air. The indoor air quality is evaluated using the carbon dioxide concentration, and thermal comfort is evaluated using the Predicted Mean Vote index. The geometry of the passive building, with complex topology, is generated using a numerical model. The simulation is performed by Building Thermal Response software, considering the building’s geometry and materials, ventilation, and occupancy, among others. The building studied is a circular auditorium. The auditorium is divided into four semi-circular auditoriums and a central circular space, with vertical glazed windows and horizontal shading devices on its entire outer surface. Typical summer conditions existing in a Mediterranean-type environment were considered. In this work, two cases were simulated: in Case 1, the occupation is verified in the central space and the four semi-circular auditoriums and all spaces are considered as one; in Case 2, the occupation is verified only in each semi-circular auditorium and each one works independently. For both cases, three strategies were applied: A, without shading and geothermal devices; B, with a geothermal device and without a shading device; and C, with both shading and geothermal devices. The airflow rate contributes to improving indoor air quality throughout the day and thermal comfort for occupants, especially in the morning. The geothermal and shading devices improve the thermal comfort level, mainly in the afternoon.

Informal settlements ablaze: decoding the combustible nature of building materials used in Bangladesh through experiments and numerical analysis

ABSTRACT Fire outbreaks in informal settlements pose severe threats to residents and their properties. Despite the frequent occurrence of fire events in Bangladesh, detailed studies on fire propagation behaviour remain limited. This study addresses this critical issue by comprehensive investigations into the ignitability and burning behaviour of different materials such as cardboard, polyurethane foam, plastic bags, wood, and structural timber that are commonly found in informal settlements. Additionally, an advanced numerical model based on the finite volume method was developed in Fire Dynamics Simulator and then employed to accurately predict the fire-reaction properties of materials under the cone calorimeter environment. The results revealed that cardboard ignites quickly, burns moderately, and does not produce flaming droplets or ignite the filter paper. PU foam burns vigorously, with a high burning rate, and emits dense black smoke and a toxic odour. Plastic bags ignite rapidly, burn intensely, and are greatly influenced by the presence of airflow. The numerical model successfully quantified fire-reaction properties such as ignition time, heat release rate (HRR), and flame spread characteristics. Notably, wood and structural timber demonstrate a distinct combustion pattern with a sharp HRR peak, while PU foam exhibits the highest peak HRR values followed by timber masonite.

Coupled hydro-mechanical model for underground hydrogen storage undergoing cyclic injection and production

ABSTRACT Excess renewable energy can be used to generate and store hydrogen underground, offering a secure and econimical solution to the intermittency challenges of renewable energy sources. The success of underground storage relies on understanding and controlling the geo-mechanical integrity of storage sites during cyclic loadings. While geological deformation during natural gas and carbon dioxide storage is well studied, few have investigated pore pressure and in-situ stress variations during cyclic loading, which is unique to underground hydrogen storage sites. This paper presents a predictive analytical model for the pore pressure and stress changes during cyclic loading. The model was derived based on continuous point source injection, a basic hydro-mechanical model while applying the superposition to consider the cyclic loading. The developed model was evaluated for hydrogen and natural gas subjected to cyclic injection and production. Comparing hydrogen and natural gas storage cases can offer valuable insights into the behavior of hydrogen since the deformation of natural gas storage is more studied. Finally, analytical solutions for both storage cases were validated by numerical models with discrepancies between the models amounting to less than 1%. Comparative analysis of the results from 3 to 99 cycles of injection and production for both hydrogen and methane demonstrates that rise in cycle numbers leads to a corresponding rise in stress accumulation in the system. Neglecting the stress accumulation during these cycles can lead to significant geomechanical issues, potentially compromising the storage system’s safety and integrity.

Multidisciplinary Optimization of Gyroid Topologies for a Cold Plate Heat Exchanger Design

Abstract The strive to reduce the environmental impact of aviation has led to electrification and increasing demand for powerful on-board power electronic systems. These high-performance electrical components are bound to produce significant amounts of low-quality heat waste that, if not dissipated properly, will lead to malfunctioning and even permanent damage. For this reason, high-performance heat exchangers (HX) represent a key enabler for future advances in aircraft systems electrification and are vital to meet net zero goals and reduce the aviation's carbon footprint. For a given volume of the exchanger, the heat flow rate can be increased by adopting more sophisticated fluid domains. However, excessive geometrical complexity will lead to an increase in pressure losses, often resulting in inhomogeneous temperature distributions. In this paper, a novel optimization procedure is employed to maximize the efficiency of a high-performance heat exchanger, while minimizing overall pressure loss and temperature gradients. The optimization is performed with full three-dimensional high-fidelity computational flow simulations. The geometry of the fluid domain is constituted by triply periodic minimal surfaces (TPMS), with a parametrization based on thickness and aspect ratios, done by using the ntopology suite. To assess the performance gain, the topology-optimized design is compared against the datum case and a conventional serpentine design.

Heat transfer and electromagnetic property investigation on the hot air quartz fiber/PTFE capillary/epoxy resin anti/de‐icing composites

AbstractTo achieve the wave‐transparent and anti/de‐icing requirements of electromagnetic functional structural components on the windward surface of the aircraft, the PTFE capillary hot air tubes were pre‐buried inside the quartz fiber cloth and the hot air anti/de‐icing quartz fiber/PTFE capillary/epoxy resin (QF/PTFE/EP) composite components was prepared to that met the wave‐transparent performance. A multi‐field coupled numerical finite element simulation model was established, and the anti/de‐icing performance of the QF/PTFE/EP composite with different built‐in tube diameters were investigated by combining experiments and simulations under different hot air temperatures and pressures. The feasibility of hot air anti/de‐icing was verified through anti/de‐icing experiments and numerical simulation. The electromagnetic transmittance of the prepared hot air anti/de‐icing QF/PTFE/EP composite components was tested to characterize the effect on the stealth performance of the aircraft under the service environment. The experimental results demonstrated that with 5 mm tube pitch and hot air of 60°C ± 1°C, the surface temperature of the component with three tube diameters could reach more than 10°C. Furthermore, the decrease in the transmittance of the hot air anti/de‐icing QF/PTFE/EP composite components caused by different incidence angles and two polarization modes was less than 3%.Highlights The hot air QF/PTFE/EP anti/de‐icing composite components were fabricated. The heat transfer, anti/de‐icing, and electromagnetic transmittance performance of the hot air QF/PTFE/EP anti/de‐icing QF/PTFE/EP components were investigated. The experimental and simulation results verified the hot air anti/de‐icing QF/PTFE/EP components met the requirement of aircraft anti/de‐icing and wave transmission.

Recommended coupling to global meteorological fields for long-term tracer simulations with WRF-GHG

Abstract. Atmospheric transport models are often used to simulate the distribution of greenhouse gases (GHGs). This can be in the context of forward modeling of tracer transport using surface–atmosphere fluxes or flux estimation through inverse modeling, whereby atmospheric tracer measurements are used in combination with simulated transport. In both of these contexts, transport errors can bias the results and should therefore be minimized. Here, we analyze transport uncertainties in the commonly used Weather Research and Forecasting (WRF) model coupled with the greenhouse gas module (WRF-GHG), enabling passive tracer transport simulation of CO2 and CH4. As a mesoscale numerical weather prediction model, WRF's transport is constrained by global meteorological fields via initialization and at the lateral boundaries of the domain of interest. These global fields were generated by assimilating various meteorological data to increase the accuracy of modeled fields. However, in limited-domain models like WRF, the winds in the center of the domain can deviate considerably from these driving fields. As the accuracy of the wind speed and direction is critical to the prediction of tracer transport, maintaining a close link to the observations across the simulation domain is desired. On the other hand, a link that is too close to the global meteorological fields can degrade performance at smaller spatial scales that are better represented by the mesoscale model. In this work, we evaluated the performance of strategies for keeping WRF's meteorology compatible with meteorological observations. To avoid the complexity of assimilating meteorological observations directly, two main strategies of coupling WRF-GHG with ERA5 meteorological reanalysis data were tested over a 2-month-long simulation over the European domain: (a) restarting the model daily with fresh initial conditions (ICs) from ERA5 and (b) nudging the atmospheric winds, temperatures, and moisture to those of ERA5 continuously throughout the simulation period, using WRF's built-in four-dimensional data assimilation (FDDA) in grid-nudging mode. Meteorological variables and simulated mole fractions of CO2 and CH4 were compared against observations to assess the performance of the different strategies. We also compared planetary boundary layer height (PBLH) with radiosonde-derived estimates. Either nudging or daily restarts similarly improved the meteorology and GHG transport in our simulations, with a small advantage of using both methods in combination. However, notable differences in soil moisture were found that accumulated over the course of the simulation when not using frequent restarts. The soil moisture drift had an impact on the simulated PBLH, presumably via changing the Bowen ratio. This is partially mitigated through nudging without requiring daily restarts, although not entirely alleviated. Soil moisture drift did not have a noticeable impact on GHG performance in our case, likely because it was dominated by other errors. However, since the PBLH is critical for accurately simulating GHG transport, we recommend transport model setups that tie soil moisture to observations. Our method of frequently re-initializing simulations with meteorological reanalysis fields proved suitable for this purpose.

Failure analysis of multi-span masonry arch bridges using combination of point cloud data and three-dimensional numerical modeling

Historical structures, including historical bridges, are part of cultural heritage, conveying the traces and characteristic features of past civilizations. To protect historical structures, it is necessary to prepare their 3D photogrammetric documentation, determine detailed geometric and material properties and perform computer-aided structural analysis using appropriate modeling techniques. The aim of this study is to present an effective, reliable and fast multidisciplinary approach for the analysis of historical masonry bridges. The aforementioned approach was illustrated with an example of the historical Halilviran masonry arch bridge and its behavior under possible loadings. Terrestrial laser scanning (TLS) was used to determine the bridge geometry with high accuracy. Point cloud data obtained from TLS was simplified and a three-dimensional CAD-based solid model of the structure was created. The Halilviran Bridge case study summarized in this report was conducted to examine the technical feasibility of using la¬ser scanning technologies for obtaining as-built records for similar historic bridges. A secondary objective was to identify other applications of this technology, notably for other transportation structures, and use numerical methods to assess the seismic behavior and failure model of the bridge. The seismic behavior of the bridge was examined using a finite-element- based macromodeling technique. Nonlinear dynamic analyses were carried out subsequently to identify the most susceptible regions of the bridge. Interpretation of the results, presented in the form of contour plots illustrating tensile damage and maximum displacements, offered a comprehensive depiction of the seismic response across the entire bridge. The methodology employed in this investigation can be viewed as a robust framework for evaluating the seismic response and potential failure of historical structures.

Microscopic Structure of Neat Linear Alkylamine Liquids: An X-Ray Scattering and Computer Simulation Study.

Linear amines, from propylamine to nonylamine, are studied under ambient conditions by X-ray scattering and molecular dynamics simulations of various force field models. The major finding is that the prepeak in alkylamines is about 1 order of magnitude weaker than that in alkanols, hence suggesting much weaker hydrogen bonding-induced clustering of the amine groups than for the hydroxyl groups. Computer simulation studies reveal that the OPLS-UA model reproduces the prepeak, but with larger amplitudes, while the GROMOS-UA and CHARMM-AA force fields show almost no prepeak. Simulations of all models show the existence of hydrogen-bonded clusters, equally confirmed by the prominent prepeak of the structure factor between the nitrogen atoms. The hydrogen bond strength, as modeled by the Coulomb association in classical force field models, is about the same order of magnitude for both systems. Then, one may ask what is the origin of the weaker prepeak in alkylamines? Simulation data reveal that the existence of the prepeak is controlled through the cancellation of the positive contributions from the charged group correlations by the negative contributions from the cross charged-uncharged correlations. The C2v symmetry of the amine headgroup hinders clustering, which favors cross correlations with the tail atoms. This is opposite to alkanols where the symmetry of the hydroxyl headgroup favors clustering and hinders cross correlations with the alkyl tail. This competition between charged and uncharged atomic groups appears as a general mechanism to explain the existence of scattering prepeaks, including their position and amplitude.