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At least 181 records · Page 10

Long-Term Trends in Aerosols, Low Clouds, and Large-Scale Meteorology Over the Western North Atlantic From 2003 to 2020

Here, a continuous decrease in aerosols over the Western North Atlantic Ocean (WNAO) on a decadal timescale provides a long-term benchmark to evaluate how various natural and anthropogenic processes affect the manifestation of aerosol-cloud interactions in this region. Furthermore, the WNAO serves as a natural laboratory with diverse aerosol sources, marine boundary layer clouds more variable than those in marine stratocumulus deck regions, and unique flow regimes established by the Gulf Stream and the semi-permanent Bermuda High. We investigate how satellite-retrieved macrophysical and microphysical properties of low clouds and the surface shortwave irradiance changed from 2003 to 2020, in tandem with this aerosol decrease. The decadal changes in large-scale meteorology related to the North Atlantic Oscillation (NAO) are also examined. We find a reduction in low-cloud optical thickness, accompanied by fewer and larger cloud droplets, yet observe no significant changes in low-cloud fraction and liquid water path. Despite the reduction in low-cloud optical thickness together with aerosol decrease, a corresponding increase in the trends of surface shortwave irradiance, also known as surface brightening, is lacking. This absence of brightening is potentially related to concomitant changes found in large-scale meteorology associated with NAO—Bermuda High strengthening, sea surface warming, and atmospheric moistening— as well as an increase in high-level cloud fraction that can counteract the surface brightening. Ultimately, our findings suggest that spatial patterns of decadal meteorological variability introduce complexities in the surface cloud radiative effect over the WNAO, thereby complicating the isolation and examination of aerosol-cloud interactions.

54 ENVIRONMENTAL SCIENCES↗

Relativistic Shear Boundary Layer and the Gamma-Ray Emission of GW170817

We present an analysis of the radiation characteristics of kinetic shear boundary layers created by relativistic plasma jets. Using a model of electromagnetic field data based on particle-in-cell simulations of an electron–ion plasma, we solve the motion of individual test electrons and compute their instantaneous radiated power and peak frequency. By analyzing a large number of test electrons in this manner, we find two distinct electron populations present around the shear boundary layer. The most highly radiative electrons execute looping motion due to crossed electric and magnetic fields as they are accelerated along the bulk flow of the jet, and eventually cross the shear boundary interface at steep angles. Electrons that never cross the shear boundary interface radiate much less energy as a group. Summing over all of the highly radiative electrons, we compute the distribution of the total radiated energy as a function of the angle relative to the bulk flow. Furthermore, this result has important potential implications for the observed radiation output of short gamma-ray bursts viewed at large angles from the jet axis, such as the neutron star merger event GW170817/GRB 170817A.

79 ASTRONOMY AND ASTROPHYSICS↗

Transport-driven toroidal rotation with general viscosity profile

Abstract Using the assumption of a weak normalized turbulent viscosity, usually valid in practice, the modulated-transport model (Stoltzfus-Dueck 2012 Phys. Plasmas 19 055908) is generalized to allow the turbulent transport coefficient to vary in an arbitrary way on radial and poloidal position. The new approach clarifies the physical interpretation of the earlier results and significantly simplifies the calculation, via a boundary-layer asymptotic method. Rigorous detailed appendices verify the result of the simple boundary-layer calculation, also demonstrating that it achieves the claimed order of accuracy and providing a concrete prediction for the strong plasma flows in the immediate vicinity of the last closed flux surface. The new formulas are used to predict plasma rotation at the core-edge boundary, in cases with and without externally applied torque. Dimensional formulas and extensive discussion are provided, to support experimental application of the new model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Doppler-Lidar Evaluation of HRRR-Model Skill at Simulating Summertime Wind Regimes in the Columbia River Basin during WFIP2

Complex-terrain locations often have repeatable near-surface wind patterns, such as synoptic gap flows and local thermally forced flows. An example is the Columbia River Valley in east-central Oregon-Washington, a significant wind-energy-generation region and the site of the Second Wind-Forecast Improvement Project (WFIP2). Data from three Doppler lidars deployed during WFIP2 define and characterize summertime wind regimes and their large-scale contexts, and provide insight into NWP model errors by examining differences in the ability of a model [NOAA’s High-Resolution Rapid-Refresh (HRRR-version1)] to forecast wind-speed profiles for different regimes. Seven regimes were identified based on daily time series of the lidar-measured rotor-layer winds, which then suggested two broad categories. First, in three regimes the primary dynamic forcing was the large-scale pressure gradient. Second, in two regimes the dominant forcing was the diurnal heating-cooling cycle (regional sea-breeze-type dynamics), including the marine intrusion previously described, which generates strong nocturnal winds over the region. The other two included a hybrid regime and a non-conforming regime. For the large-scale pressure-gradient regimes, HRRR had wind-speed biases of ~1 m s -1 and RMSEs of 2-3 m s -1 . Errors were much larger for the thermally forced regimes, owing to the premature demise of the strong nocturnal flow in HRRR. Thus, the more dominant the role of surface heating in generating the flow, the larger the errors. Major errors could result from surface heating of the atmosphere, boundary-layer responses to that heating, and associated terrain interactions. Finally, measurement/modeling research programs should be aimed at determining which modeled processes produce the largest errors, so those processes can be improved and errors reduced.

17 WIND ENERGY↗

High temporal frequency data from a four turbine, blade-resolved wind farm simulation with ExaWind

The data was generated with ExaWind (https://github.com/Exawind) which couples AMR-Wind (https://github.com/Exawind/amr-wind/), Nalu-Wind (https://github.com/Exawind/nalu-wind), TIOGA (https://github.com/Exawind/tioga), and OpenFAST (https://github.com/OpenFAST/openfast). This is a large-scale simulation of a blade-resolved wind farm using the ExaWind software stack. ExaWind couples together a background flow solver, AMR-Wind, and a near-body solver, Nalu-Wind, through an overset technique from the TIOGA application. Another application, OpenFAST, handles the structural dynamics of the turbine blades and towers, which informs the fluid-structure interaction of the wind turbines with the flow solvers. This particular simulation includes four blade-resolved wind turbines operating in a turbulent atmospheric boundary layer. The AMR-Wind solver uses 500 million cells and is being solved on 256 AMD GPUs of the Oakridge Leadership Computing Facility Frontier supercomputer. Each turbine is assigned its own Nalu-Wind solver with over 13 million elements per turbine and solved using 448 CPU cores, for a total of 1792 CPU cores. For each node, 56 cores contain Nalu-Wind, while 8 cores correspond to AMR-Wind operations on the GPUs. Consequently, ExaWind is entirely utilizing the CPUs and the GPUs of the nodes concurrently. The data used in the visualization is full flow field data output from the simulation. It is lossy-compressed to a specific accuracy using ZFP and written to disk every 16 time-steps to enable real-time flow visualization. The flow fields are sampled at a high temporal frequency to enable real-time, 24fps visualization. The flow fields are sampled every 12 simulation time steps (every 0.04132s).

17 WIND ENERGY↗

Large-Eddy Simulation of Flow Over Boeing Gaussian Bump Using Multiagent Reinforcement Learning Wall Model: Preprint

We develop a wall model for large-eddy simulation (LES) that takes into account various pressure-gradient effects using multi-agent reinforcement learning. The model is trained using low-Reynolds-number flow over periodic hills with agents distributed on the wall at various computational grid points. It utilizes a wall eddy-viscosity formulation as the boundary condition to apply the modeled wall shear stress. Each agent receives states based on local instantaneous flow quantities at an off-wall location, computes a reward based on the estimated wall-shear stress, and provides an action to update the wall eddy viscosity at each time step. The trained wall model is validated in wall-modeled LES of flow over periodic hills at higher Reynolds numbers, and the results show the effectiveness of the model on flow with pressure gradients. The analysis of the trained model indicates that the model is capable of distinguishing between the various pressure gradient regimes present in the flow. To further assess the robustness of the developed wall model, simulations of flow over the Boeing Gaussian bump are conducted at a Reynolds number of 2 x 10^6, based on the free-stream velocity and the bump width. The results of mean skin friction and pressure on the bump surface, as well as the velocity statistics of the flow field, are compared to those obtained from equilibrium wall model (EQWM) simulations and published experimental data sets. The developed wall model is found to successfully capture the acceleration and deceleration of the turbulent boundary layer on the bump surface, providing better predictions of skin friction near the bump peak and exhibiting comparable performance to the EQWM with respect to the wall pressure and velocity field. We also conclude that the subgrid-scale model is crucial to the accurate prediction of the flow field, in particular the prediction of separation.

boundary layer↗

Modification of wind turbine wakes by large-scale, convective atmospheric boundary layer structures

In this study, we consider the impact of large-scale, convective structures in an unstable atmospheric boundary layer on wind turbine wakes. Simulation data from a high-fidelity large-eddy simulation (LES) of the AWAKEN wind farm site matching unstable atmospheric conditions were analyzed, and both turbine performance and wake behavior were affected based on their location relative to the convective structures. Turbines located in updraft regions of the flow experienced lower inflow velocity and generated less power, but their wakes were observed to recover faster and saw greater turbulent kinetic energy mixing higher in the boundary layer. The opposite effect was found for turbines in the downdraft regions of the convective structures. A simplified model of this wake behavior was also developed based on a two-dimensional k–ε Reynolds-Averaged Navier–Stokes formulation. This simplified model included the effects of vertical transport, but could be efficiently solved as a parabolic system, and was found to capture similar wake modifications observed in the high-fidelity LES computations.

16 TIDAL AND WAVE POWER↗

Effects of Vegetation and Topography on the Boundary Layer Structure above the Amazon Forest

Observational data from two field campaigns in the Amazon forest were used to study the vertical structure of turbulence above the forest. The analysis was performed using the reduced turbulent kinetic energy (TKE) budget and its associated two-dimensional phase space. Results revealed the existence of two regions within the roughness sublayer in which the TKE budget cannot be explained by the canonical flat-terrain TKE budgets in the canopy roughness sublayer or in the lower portion of the convective ABL. Data analysis also suggested that deviations from horizontal homogeneity have a large contribution to the TKE budget. Results from LES of a model canopy over idealized topography presented similar features, leading to the conclusion that flow distortions caused by topography are responsible for the observed features in the TKE budget. These results support the conclusion that the boundary layer above the Amazon forest is strongly impacted by the gentle topography underneath.

54 ENVIRONMENTAL SCIENCES↗

Influence of Concentration Gradients on Electroconvection at a Cation-Exchange Membrane Surface

Membrane-based systems, such as electrodialysis, play an important role in desalination and industrial separation processes. Electrodialysis uses alternating anion- and cation-exchange membranes with a perpendicular electric field to generate concentrated and diluate streams from a feed solution. It is known that under overlimiting current conditions, reduced charge and mass transfer at the membrane interface leads to regions of high ion depletion generating instability and vortices termed electroconvection. While electroconvective mixing is known to directly impact the separation efficiency of electrodialysis, the influence of ion concentration gradients across the membrane experienced in a functional electrodialysis system is not known. Here, we report the influence of ion concentration gradients across a cation exchange membrane (Nafion) that is both aligned with and opposed to the applied electric field. Experiments were conducted by coflowing NaCl solutions of different concentrations (0.1–100 mM) on each side of the membrane, and electroconvection was visualized with a fluorescence dye (Rhodamine 6G). Here, we obtained concentration profiles from fluorescence image data and systematically measured the thickness of the depletion boundary layer d BL under different conditions. We found smaller d BL values at a higher flow rate both with and without concentration gradients. Our results show that electroconvection is enhanced when the electric field is opposite to the direction of the concentration gradient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Review of heat transfer enhancement techniques for single phase flows

The thermal energy exchange between a flowing fluid and its confining channel is a ubiquitous process in modern society. To enhance the fluid-to-wall or wall-to-fluid heat transfer, several techniques have been developed to maximize the contact area between the fluid and the inner wall and/or disrupt the flow to enhance circulation or induce turbulence. Deployment of channels having features capable of enhancing heat transfer enables the reduction of heat exchanger size while maintaining performance. Reduction in equipment size is critical due to the ability to minimize the required volume of costly working fluids and to mitigate potential safety concerns associated with total system fluid volume. Here, a comprehensive review of single-phase heat transfer enhancement techniques is presented. The article provides a thorough comparison by analyzing the heat transfer rate, pressure drop, and other operational aspects. Single-phase heat transfer enhancement methods are divided into active and passive techniques. Active methods such as electrohydrodynamic (EHD), magnetohydrodynamics (MHD), or mechanical motion require external power to create enhancement. Passive methods such as dimples, fins, or tape inserts do not require external input and rely only on surface modification. Although active methods are more expensive and difficult to implement compared to passive techniques, it enables active control of heat transfer augmentation. Finally, this review develops and summarizes key learning data for design optimization enabled by additive manufacturing and machine learning algorithms, helping to inform these next-generation heat exchanger design methodologies for a plethora of modern applications such as electrification of vehicles, computing, and classical industries.

42 ENGINEERING↗

Characterization of oceanic post-cold frontal clouds and their model representation. Final report

Low-level clouds are ubiquitous over the oceans, and their impact on the Earth’ radiative budget is important. However, general circulation models (GCMs) that are used to represent our climate and its evolution still experience problems to represent their correct amount and radiative impact. In the extratropical latitudes (~30-60 N/S), cloud properties are strongly modulated by the occurrence of anti-cyclones (high pressure systems) and cyclones (low pressure systems). While deep clouds dominate in cyclones near the center and along the cold and warm fronts, low-level clouds populate the colder regions of the cyclones, and more specifically the region in the wake of the cold fronts, the post-cold frontal region (PCF). The GCMs mentioned above were found to underestimate the amount of these PCF clouds, and this caused errors in their representation of the amount of solar radiation at the surface of the southern hemisphere oceans, causing an excess in absorption and errors in long-term predictions. To better understand which processes are ill-represented in the GCMs to cause such issues, we used ground-based observations from the Eastern North Atlantic (ENA) ARM site and a high resolution regional model (called WRF) to examine the properties of PCF clouds. With the WRF model, we simulated the passage of a cold front at the ENA site using theoretically distinct representations of convection and the physics of the boundary layer. While these physical representations had little impact on the timing, structure and circulation of the cold front, we found a high sensitivity to how the large scale information was fed into the model. Errors rapidly developed if the incoming flow information was injected too far from the site, but 1000 km was found to be an optimal distance between the outer boundary and the ENA site for a realistic cold front passage. With this model, we then conducted a series of experiment where convection and boundary layer schemes were changed, and revealed that 1) the clouds were more sensitive to the convection than boundary layer schemes and 2) the interaction between the two has a large impact. Furthermore, changing the representation of the physics in the model had greater impacts on PCF clouds than changing the initial conditions. As large-scale models increase their spatial resolution, convection will eventually be resolved but it remains that their representation of the physics of the boundary layer will matter for the correct representation of shallow (low-level) clouds. Observations were used to find which large-scale information had a clear relationship with PCF cloud and precipitation properties, in view of helping with GCM parameterizations and evaluation. Both lower troposphere stability and surface forcing were found to be important for PCF clouds that experience more vigorous dynamics than their tropical or subtropical counterparts. For cloud base and top heights, a simple measure of the change in potential temperature between the surface and the 800 hPa was found to be a good predictor. This relationship was found to hold as well when using data from campaigns recently conducted in the southern ocean south of Tasmania. A recent GCM was found to succeed in representing similar relations. For cloud depth, water content, and different characteristics of precipitation both the temperature contrast between the surface and near-air and the near-surface wind speed had a strong relationship. To summarize, through observational constraints and regional model experiments, the project has provided guidance to evaluate GCMs and tools to improve their representation of low-level clouds in the extratropics. It has also highlighted differences in behavior between these clouds and those typically found in the subtropics, thus opening new avenues of research for shallow clouds in general.

54 ENVIRONMENTAL SCIENCES↗

Evaluating mesoscale model predictions of diurnal speedup events in the Altamont Pass Wind Resource Area of California

Mesoscale model predictions of wind, turbulence, and wind energy capacity factors are evaluated in the Altamont Pass Wind Resource Area of California (APWRA), where the diurnal regional sea breeze and associated terrain-driven speedup flows drive wind energy production during the summer months. Results from the Weather Research and Forecasting model version 4.4 using a novel three-dimensional planetary boundary layer (3D PBL) scheme, which treats both vertical and horizontal turbulent mixing, are compared to those using a well-established one-dimensional (1D) scheme that treats only vertical turbulent mixing. Each configuration is evaluated over a nearly 3-month-long period during the Hill Flow Study, and due to the recurring nature of the observed speedup flows, diurnal composite averaging is used to capture robust trends in model performance. Both model configurations showed similar overall skill. The general timing and direction of the speedup flows is captured, but their magnitude is overestimated within a typical wind turbine rotor layer. Both also fail to capture a persistent observed near-surface jet-like flow, likely due to the limited grid resolution that is typical of mesoscale models. However, the 3D PBL configuration shows several minor improvements over the 1D PBL configuration, including improved wind speed and turbulence kinetic energy profiles during the accelerating phase of the speedup events, as well as reduced positive wind speed bias at surface stations across the APWRA region. Using a mesoscale wind farm parameterization, modeled capacity factors are also compared to monthly data reported to the US Energy Information Administration (EIA) during the study period. Although the monthly trend in the data is captured, both model configurations overestimate capacity factors by roughly 7 %–11 %. Through model evaluation, this study provides confidence in the 3D PBL scheme for wind energy applications in complex terrain and provides guidance for future testing.

17 WIND ENERGY↗

Quantification and assessment of the atmospheric boundary layer height measured during the AWAKEN experiment by a scanning LiDAR

The atmospheric boundary layer (ABL) height plays a key role in many atmospheric processes as one of the dominant flow length scales. However, a systematic quantification of the ABL height over the entire range of scales (i.e., with periods ranging from one minute to one year) is still lacking in literature. In this work, the ABL height is quantified based on high-resolution measurements collected by a scanning pulsed Doppler LiDAR during the recent American WAKE experimeNt (AWAKEN) campaign. The high availability of ABL height estimates (≈2200 collected over one year and each of them based on 10-min averaged statistics) allows to robustly assess five different ABL height models, i.e., one for convective thermal conditions and four for stable conditions. Thermal condition is quantified by a stability parameter spanning three orders of magnitude and probed by near-ground 3D sonic anemometry. The free-atmosphere stability, quantified by the Brunt–Väisälä frequency, is both calculated from simultaneous radiosonde measurements and obtained from the best fit of two of the chosen ABL height models. Good agreement is found between the data and three of the chosen models, quantified by mean absolute errors on the ABL height between 281 and 585 m. Furthermore, the seasonal variability of the convective ABL height model parameters (−15% to +23% with respect to the year baseline) agrees with the variability of buoyancy-generated turbulence caused by the variation in solar radiation throughout the year.

17 WIND ENERGY↗

TEAMER: Water Tunnel Data from Testing the Pterofin Skimmer Concept

Pterofin's Skimmer concept relies on a flapping and pitching hydrofoil to extract hydrokinetic energy from water flows. The concept aims to utilize unsteady fluid dynamics phenomena (added mass, shed vorticity, and unsteady boundary layer development) to achieve higher lift coefficients, enabling increased power density of the hydrokinetic device and a fundamental shift in the rpm/torque scaling of the power take off compared with turbines. The Applied Research Laboratory at Penn State, in collaboration with Pterofin, designed and built a proof-of-concept flapping/pitching mechanism which was subsequently tested in ARL's 12-inch water tunnel facility. The mechanical power supplied to or extracted from the mechanism was measured for a range of hydrofoils provided by Pterofin over operating conditions including reduced frequency, Reynolds number, and the ratio between pitching and flapping amplitudes. The power lost to friction in the mechanism was removed from the net power measurement by means of a bare hub tare, with the resultant hydrodynamic power being used to calculate a mechanism-independent and non-dimensional power coefficient. The product of this effort is a dataset describing the power coefficient of a hydrofoil having simultaneous pitching and flapping motions, both of which are approximately sinusoidal. Power coefficients were collected for a range of primary design variables including: - Reduced frequency: 0.01 to 0.95 - Pitching/flapping peak angle ratio: 1.5 to 3.0 - Chord-based Reynolds number: 60,000 to 560,000 Secondary design variables relating to the hydrofoil geometry were explored including: - Aspect ratio - Planform shape - Section thickness distribution - Hydrofoil position relative to the pitching axis - Hydrofoil sweep angle relative to the pitching axis Measured data are provided in mean and time series formats. MATLAB scripts are provided which can be used to generate figures of time-averaged and phase-averaged hydrodynamic power coefficients calculated from the measured data. A complete description of the experiment and data reduction can be found in the Post Access Report for the Pterofin Skimmer test effort which will be available on the TEAMER website. This work was supported by the Pacific Energy Ocean Trust via a TEAMER award.

16 TIDAL AND WAVE POWER↗

Assessment and Improvement of the SST-Gamma Transition Model in Nalu-Wind

We conduct laminar–turbulent boundary-layer transition simulations using a local correlation-based transition model for two-dimensional incompressible flow and present enhancements to improve the accuracy of transition predictions. Menter’s Galilean-invariant 𝛾 transition model is implemented in the incompressible, unstructured-grid flow solver Nalu-Wind and is validated against experimental data and results from NASA’s flow solvers. The test cases of the AIAA Transition Prediction and Modeling Workshop are investigated, namely, the T3A/T3B flat plates and the NLF(1)-0416 and S809 airfoils. Based on the results, best practices for transition simulations, particularly for an unstructured-grid flow solver, are identified. Additional airfoil simulations are conducted for two wind turbine airfoils, S822 at Reynolds numbers of 𝑂⁡(10 5 ) and DU00-W-212 at Reynolds numbers of 𝑂⁡(10 7 ), to assess the model at low and high Reynolds numbers. Furthermore, through this work, we propose several approaches to enhance transition simulations, including 1) enforcing positivity of the implicit operator for the source terms of the transition model, 2) employing a constant turbulence intensity in stationary external flow simulations, and 3) recommending meshing for unstructured-grid flow solvers. Finally, we provide detailed documentation of the validation and data for the canonical cases to the transition modeling community.

17 WIND ENERGY↗

Suppression of electroconvective and morphological instabilities by an imposed cross flow of the electrolyte

Electroconvective (EC) instability and its influence on surface morphological perturbations (Morph) are important in many applications, including electrodialysis, batteries, and fuel cells. In this work, we study the effects of a two-dimensional channel flow on the EC and Morph instabilities using two approaches. In the bulk analysis, we derive the asymptotic solutions for small and large wave numbers by neglecting the space charge layer and imposing a second kind electroosmosis slip velocity boundary condition on the electroneutral bulk region. In the full analysis, the instability of the entire region of the liquid electrolyte is analyzed using the ultraspherical spectral method. Both studies show that the flow significantly affects the EC instability. The imposed flow distorts the concentration field, causing a sheltering effect which hinders the ion transport from low- to high-concentration regions, and therefore suppresses the EC instability below a certain wave number. In combination with the viscous stabilization of the high wave number modes by the space charge layer, a sufficiently strong imposed flow can fully suppress the EC instability. The increment in the critical voltage for the instability onset is roughly proportional to the square root of the product of imposed velocity and double layer thickness. The imposed flow has a smaller effect on the Morph instability, except that it may remove the morphological modes resulting from the EC instability and thereby change the wave number of the most unstable mode.

42 ENGINEERING↗

Coupling between Alfven wave and Kelvin-Helmholtz waves in the low latitude boundary layer

The Kelvin-Helmholtz (KH) instability of magnetohydrodynamic surface waves at the low latitude boundary layer is examined using both an eigenfrequency analysis and a time-dependent wave simulation. The analysis includes the effects of sheared flow and Alfven velocity gradient. When the magnetosheath flows are perpendicular to the ambient magnetic field direction, unstable KH waves that propagate obliquely to the sheared flow direction occur at the sheared flow surface when the Alfv\'en Mach number is higher than an instability threshold. Including a shear transition layer between the magnetosphere and magnetosheath leads to secondary KH waves (driven by the sheared flow) that are coupled to the resonant surface Alfven wave. There are remarkable differences between the primary and the secondary KH waves including wave frequency, the growth rate, and the ratio between transverse and the compressional component. The secondary KH wave energy is concentrated near the shear Alfven wave frequency at the magnetosheath with a lower frequency than the primary KH waves. Although the growth rate of the secondary KH waves is lower than the primary KH waves, the threshold condition is lower, so it is expected that these types of waves will dominate at lower Mach number. Because the transverse component of the secondary KH waves is stronger than the primary KH waves, more efficient wave energy transfer from the boundary layer to the inner magnetosphere is also predicted.

Alfven wave↗

A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale

Portland cement is the most produced material in the world. The hydration process of cement consists of a group of complex chemical reactions. In order to investigate the mechanism of cement hydration, it is vital to study the hydration of each phase separately. An integrated model is proposed in this paper to simulate the dissolution of alite under different hydrodynamic conditions at microscale, coupling Kinetic Monte Carlo model (KMC), Lattice Boltzmann method (LBM) and diffusion boundary layer (DBL). The dissolution of alite is initialised with KMC. Two Multiple-relaxation-time (MRT) LB models are used to simulate the fluid flow and transport of ions, respectively. For solid-liquid interface, DBL is adapted to calculate the concentration gradient and dissolution flux. The model is validated with experiment from literature. The simulation results show good agreements with the results published in the literature.

36 MATERIALS SCIENCE↗