Pressure Boundary Research Articles

Generalized and high-efficiency arbitrary-positioned buffer for smoothed particle hydrodynamics

This paper develops a generalized, high-efficiency buffer for particle generation and deletion at arbitrary-positioned in-/outlets in the smoothed particle hydrodynamics method. To achieve generality, we standardize the position comparison of particles with an arbitrary-positioned in-/outlet bound by introducing coordinate transformation. To enhance efficiency, particle candidates subjected to position comparison at a specific in-/outlet are restricted to those within the local cell-linked lists near the defined buffer region, thereby avoiding the inefficiency in the straightforward approach of sequentially checking all fluid particle positions across the computational domain. We validate the effectiveness and versatility of the developed buffer through two-dimensional and three-dimensional non-orthogonal and orthogonal, uni- and bidirectional flows with arbitrary-positioned in- and outlets, driven by pressure or velocity boundary conditions.

Data-driven macro-scale simulation for rapid electrolyte wetting in lithium-ion batteries

The electrolyte wetting process in lithium-ion battery manufacturing is a critical part of processes that affects battery performance and productivity. However, it is difficult to accurately measure and optimise this process with existing technologies. In this study, a three-dimensional macroscopic filling and wetting simulation model based on actual battery material parameters is constructed, which can simulate the wetting process of electrolyte in porous electrodes and separators. The model is employed to analyse effects of filling pressure pattern, boundary conditions and other process parameters on the wetting rate. The results demonstrate that the use of multilateral cyclic pressure filling can optimise the electrolyte wetting, which is in accordance with industry practice. Consequently, the study proceeds to investigate potential process optimisation strategies, including electrolyte selection and ambient temperature. These findings not only address limitations of traditional models, which employ simplified parameters, but also present a novel approach to enhance manufacturing efficiency and reduce cost of lithium batteries. This is of paramount importance for the sustainable development of lithium-ion battery industry.

Mathematical model and its solution for water-altering-gas (WAG) injection process incorporating the effect of miscibility, gravity, viscous fingering and permeability heterogeneity

AbstractThe oil recovery from the water-alternating-gas (WAG) injection process is significantly impacted by gravity, viscous fingering, and the permeability heterogeneity of the reservoir. Therefore, the combined effect of these parameters cannot be neglected in the WAG injection process. This article presents the development of a mathematical model of oil recovery and its solution for the WAG injection process that takes into account the combined effects of miscibility change, viscous fingering, gravity, and permeability heterogeneity in an inclined stratified reservoir. First, the governing equations and fractional flow functions were explained in relation to the effects of gravity, permeability heterogeneity, viscous fingering, and miscibility change in an inclined stratified porous medium. Then, a mathematical model was developed using fractional flow functions and conservation equations for both injected water and solvent. The model was generated in the form of a quasi-linear first-order partial differential equation, which was solved analytically in two dimensions (2-D) utilizing vector calculus. Next, this model was solved analytically by applying wave theory to practical constant pressure boundary conditions, which generate distinct waves at different times to provide pressure and saturation at the displacement front location. The total volumetric flux and breakthrough time are calculated from the analytical solution at various times. The presented analytical solutions can be used to predict different parameters for stratified porous media in a fast and efficient way. Finally, the results of analytical solution validated with high-resolution numerical simulation for a wide range of permeability heterogeneity, which shows excellent agreement for breakthrough time, saturation, and pressure versus displacement location of different waves at different times. This analytical solution will save time and money by offering guidance to engineers for analyzing the saturation and pressure distribution at different times and predicting oil recovery. It will also improve the understanding of the physics underlying the multiphase flow WAG injection process in heterogeneous reservoirs.

A fully coupled multiscale phase-change model at the porous interface for transpiration cooling: coupling dynamics pore-scale networks to continuum-scale free flow

Being a promising method for thermal protection system, transpiration cooling has received wide interest recently. Numerical simulation for transpiration cooling, however, has been limited due to the mis-matching between the pore-scale two-phase flow and external high-temperature aerothermodynamic environment, which induced by conventional decoupled or iterative one-way coupled simplification methods. In this work, a fully coupled continuum-scale and pore-scale model is established for transient transpiration cooling at the interface between boundary layer flow and porous medium through coupling Computational Fluid Dynamics (CFD) and Pore-Network Model (PNM), termed as the multiscale CFD-PNM coupled method. The coupled method allows to capture detailed displacement and phase change of two-phase flow at pore-scale, revealing the strong interaction of the water vapor with the external free flow within a high temperature boundary layer. After successfully validating the new coupled model by comparing with the Two-Phase Mixture Model (TPMM) solution, a number of cases mimicking the cooling at the interface of typical blunt bodies are simulated. The results show that the multiscale CFD-PNM coupled method can not only provide the thermal protection effect prediction, but also reveal many critical features that beyond the reach of continuum-scale studies. Some pore-scale phenomena that are important to the overall transpiration cooling effects are revealed, including transient phase change and composition variation of water vapor, imbibition and drainage of two-phase flow related to pore-scale capillary thresholds and applied boundary pressures, as well as the two-way mass transfer at the interface, such as the invasion of external hot air.

Multi-principal element alloys for fast reactor cladding applications

Given the extensive list of multi-principal element alloys (MPEAs) within literature and the overwhelming number of alloys that can be made from only a handful of elements, this article proposes a methodology for prioritizing alloys for use as cladding within advanced reactors. This paper applies neutronic, mechanical, and chemical assessments to a collection of MPEAs available within literature for use as advanced reactor cladding. The results are compared to a reference design of HT9, a ferritic/martensitic steel, for employed in sodium-cooled fast reactor. Mechanical assessments determined pressure limits for a thin-walled tube pressure boundary, thus relating the material's mechanical properties to a minimum acceptable wall thickness. Neutronic analyses reveal a maximum allowable wall thickness that a given material must meet to provide a level of neutronic economy that is equivalent to than that of HT9. Lastly, each alloying element is compared to typical fission products found in a fast reactor fuels to mitigate deleterious phenomena such as fuel-cladding chemical interactions (FCCI). These analyses indicate that Mo-Nb-Ti-V-based alloys are likely to be advantageous and that the inclusion of elements with a high neutronic penalty (e.g., Hf) could be considered with minimal consequences.

Exceptional strength-toughness-hardness integrated B4C ceramics with synergistic reinforcement of nano-BN and in-situ ceramic phases

Boron carbide (B4C) ceramics with enhanced mechanical properties were fabricated by incorporating nano boron nitride (nano-BN), obtained through high-energy ball milling (HEBM) using ZrO2 balls as the medium, and utilizing the spark plasma sintering (SPS) technique. During the densification process of B4C/nano-BN composite powders, an in-situ reaction between the B4C matrix and ZrO2 resulted in the formation of ZrB2 ceramic phases at 1200–1300 °C. Additionally, the rapid sintering densification temperature of composites is reduced to 1500–1700 °C, approximately 80 °C lower than that required for pure B4C ceramics. Notably, while maintaining a high relative density (99.5 %), the Vickers hardness, flexural strength, and fracture toughness of B4C ceramics reinforced with synergistic effects of nano-BN and ZrB2 fabricated at 1750 °C are significantly improved to reach values of 36.8 ± 0.15 GPa, 701 ± 12 MPa, and 5.01 ± 0.13 MPa m1/2 respectively; representing an increase of 3.5 GPa (10.5 %), 225 MPa (47.3 %), and 1.72 MPa m1/2 (52.3 %) compared to pure B4C ceramics alone. The multiple reinforcement mechanisms including pinning effects provided by nano-BN and in-situ formed ZrB2 ceramic phases, B4C/ZrB2 grain boundary pressure and intracrystalline pressure within B4C, interlayer dislocations of nano-BN and turbulent layer of B4C/BN boundaries contribute to energy dissipation during fracture processes, such as crack deflection, bridging, propagation hindrance and branching effect; ultimately resulting in exceptional strength-toughness-hardness integrated B4C-based ceramics.

An improved pressure gradient method for viscous incompressible flows

The pressure gradient method solves the viscous incompressible flow with the pressure gradients, rather than the pressure, as unknown variables. Two variants of the pressure gradient method have been developed in the past but have not received much attention due to their unsatisfactory performance or implementation complexity. Based on the artificial compressibility concept, this study proposes an improved pressure gradient method. One distinct feature of this method is that it requires no pressure/pressure gradient boundary condition or special treatment on wall boundaries. An auxiliary variable is introduced to represent the velocity dilatation, greatly simplifying the spatial discretization and computational procedure. The mathematical formulations are elaborated and compared with the previous pressure gradient methods, followed by discussions of compatibility relationships, boundary condition setup, and an extension to a pressure Poisson-like equation. Four validation examples are performed for various flow scenarios, and the solutions and domain solenoidity are examined for each case. The study also compares associated computational methods, different pressure boundary conditions, and flow characteristics, demonstrating the benefits of the present method.

A numerical approach to overcome the very-low Reynolds number limitation of the artificial compressibility for incompressible flows

We propose a numerical approach to solve a long-standing challenge which is the applicability of the artificial compressibility (AC) formulation for solving the incompressible Navier—Stokes equations at very-low Reynolds numbers. A wide range of engineering applications involves very-low Reynolds number flows in Micro-ElectroMechanical Systems (MEMS) and in the fields of chemical-, agricultural- and biomedical engineering. It is known that the already existing numerical methods using the AC approach fail to provide physically correct results at very-low Reynolds numbers (Re ≤ 1). To overcome the limitation of the AC method for these engineering applications, we propose a higher-order Neumann-type pressure outflow boundary condition treatment along with their up to fourth-order numerical approximations. We found that the numerical treatment of the pressure at the outlet boundary plays the main role in overcoming the limitation of the AC method at very-low Reynolds numbers (Re << 1). Therefore, we provide numerical evidence on the accuracy of the AC method beyond its previously reported limitations, e.g., the low Reynolds number Oseen flow (Re << 1) is first presented in this work. A third-order explicit total-variation diminishing (TVD) Runge–Kutta scheme has been employed with standard finite difference spatial discretisation schemes for improving the accuracy of the numerical solution. For modelling strongly viscous flows, the Reynolds number ranges from 10−1 to 10−4. Overall, we found that the accuracy limitation of the AC method below Re < 1 can be overcome with an accurate numerical treatment of the outlet pressure boundary condition instead of using high-order schemes in the governing equations. For the investigated Reynolds number range (10−1 ≤ Re ≤ 10−4), the obtained results show that the relative errors were smaller than 1% for the numerical simulations performed on the configurations of both the two- and three-dimensional, straight microfluidic channels. The imposition of high-order derivative Neumann-type pressure outflow boundary conditions reduced the maximum relative errors of the numerical solutions from 85% and 95% to below than 1% at the outlet section of the two- and three-dimensional, straight microfluidic channel flows, respectively. Taking the advantage of the numerical approach proposed here, two- and three-dimensional benchmark problems employed in the current investigation in comparison with analytical solutions available in the literature, clearly demonstrate that the artificial compressibility can be used beyond its previously known constraints for very-low Reynolds number incompressible flows.

Multi-scale modeling of aerosol transport in a mouth-to-truncated bronchial tree system

Computational fluid particle dynamics (CFPD) is widely employed to predict aerosol transport in a truncated bronchial tree model on account of its capacity to reveal details of flow field and particle movement. However, setting a physiologically consistent boundary condition in the CFPD for the idealized or image-based truncated bronchial tree model is still a challenge. This paper proposes a multi-scale modeling method, which contains an Extend-Bronchial tree-Network (EBN) boundary condition for a mouth-to-truncated bronchi system. The comparison between EBN boundary condition and a commonly used uniform pressure (UP) boundary condition is conducted. Subsequently, EBN method is used to study the nano-micron (100 nm–10 μm) particles transport in the mouth-to-truncated bronchi model at different inhalation volume rates (15, 60, 90 L/min). Results show that EBN method is more physiologically rational and two methods differ in flow distribution in lobes, vortex structure, and particle transport. The maximum difference in flow rate distribution in lobes between two methods is about 20 %, while the maximum relative disparity of particle penetration fraction from lobes and deposition fraction in the TLB is about 93 % and 30 %, respectively. Meanwhile, this paper reveals the variation of deposition fraction and penetration fraction with the changes in particle diameter and inhalation volume. Deposition efficiency, deposition hotspots and deposition mechanism are also analyzed with inlet Stokes number (Stk) and Reynolds number (Re). This research establishes a foundation for the simulation of aerosol transport in a whole respiratory tract and provides references for inhalation drug delivery and air pollutant management.

Boundary vorticity of incompressible 2D flows

For a homogeneous incompressible 2D fluid confined within a bounded Lipschitz simply connected domain, homogeneous Neumann pressure boundary conditions are equivalent to a constant boundary vorticity. We investigate the rigidity of such conditions.

Study and modeling of the ultrasonic ambient noise induced by the fluid-structure interaction in a pipe

An elastic guided wave-based structural health monitoring (SHM) system consists in examining the integrity of a structure through the propagation of elastic waves. In this context, passive methods turn initial hindrances into advantages by making use of the ambient ultrasonic noise in a structure in operation, through the cross-correlation. Although they have been empirically applied in several configurations, no model is available to predict the link between the flow regime and the convergence of the ambient noise correlation towards the impulse response of the system. Considering the different parameters involved in the case of a pipe, a physical approach of this issue may be studied through the turbulent boundary layer, which has long been described by the Corcos model. Corcos-like models have essentially been applied so far on the audible range, below 1 kHz, where we are interested in frequencies around 100 kHz, typical for SHM applications. The semi-empirical model allows to determine a wall boundary pressure, which, applied at the pipe's inner boundaries, acts as a source term for ultrasonic elastic waves propagating in the pipe. Our goal is then to study if such a model can be used at these high frequencies to reproduce the experimental observations.

Optimizing large-scale CO2 pipeline networks using a geospatial splitting approach

CO2 transport infrastructure is the backbone of carbon capture and storage (CCS) technology for the mitigation of carbon emissions and project deployment viability. In conventional large-scale CO2 pipeline network designs, the storage sites are generally assumed as the centroids of the major geologic basins, however, this approach might provide suboptimal solutions since the large extension of some storage formations significantly increases the length of the CO2 transportation networks. To address this situation and obtain optimal pipeline routes, we present a novel geospatial splitting framework that partitions large basins into multiple sub-sinks. In our approach, we used a large number of reservoir models varying petrophysical properties and CO2 injection rates to compute pressure plumes through numerical simulations, leading to the calculation of the number of subregions for each basin as a function of the extension of pressure interference areas and boundaries. Finally, we applied K-means clustering and Voronoi polygon algorithms to partition large basins into subregions and obtain their sink coordinates. To demonstrate the capability of the developed workflow, we investigated two CO2 pipeline network modeling case studies using our splitting approach: one regional case study focusing on the Intermountain West (I-West) region and one nationwide case study covering the lower 48 states in the U.S. In both case studies, we compared the optimal pipeline routes using the original and new storage locations and examined the major differences. The use of the developed geospatial approach resulted in both cases in a shortening of the total pipeline network length by 13% and 10%, compared to the pipeline modeling with the original basins, leading to cost reductions of 25% and 17%, respectively, demonstrating that the location of point sinks has a critical impact on the length and expenses of pipelines to efficiently transport CO2 to distant storage sites. Therefore, the workflow presented here contributes to the proper and realistic modeling of case studies that support decision-making in CCS deployment.

The direction of core solidification in asteroids: Implications for dynamo generation

Paleomagnetic studies of meteorites over the past two decades have revealed that the cores of multiple meteorite parent bodies, including those of certain chondritic groups, generated dynamo fields as they crystallised. However, uncertainties in the direction and mode of core solidification in asteroid-sized bodies have meant using the timings and durations of these fields to constrain parent body properties, such as size, is challenging. Here, we use updated equations of state and liquidus relationships for Fe-FeS liquids at low pressures to calculate the locations at which solids form in these cores. We perform these calculations for core-mantle boundary (CMB) pressures from 0–2 GPa, and Fe-FeS liquid concentrations on the iron-rich side of the eutectic, as well as two values of iron thermal expansivity that cover the measured uncertainties in this parameter, and adiabatic and conductive cooling of these cores. We predict inward core crystallisation from the CMB in asteroids due to their low < 0.5 GPa pressures regardless of the uncertainties in other key core parameters. However, due to low internal pressures in these cores, remelting of any iron snow, as proposed to generate Ganymede’s present-day field, may be unlikely as the cores are approximately isothermal. Therefore a different mode of inward core solidification is possibly required to explain compositionally-driven dynamo action in asteroids. Additionally, we identify possible regimes at higher > 0.6 − 2 GPa pressures in which crystallisation can occur concurrently at the CMB and the centre.

Degradation mechanism and assessment for different cathode based commercial pouch cells under different pressure boundary conditions

Lithium-ion pouch cell exhibits expansion behavior during cycling, which determines the overall performance and external pressure evolution. It is significant to reveal the impact of pressure boundary conditions on battery degradation. This study investigated the degradation mechanism of different cathode-based pouch cells (LiFePO4 (LFP) and Li(Ni0.6Co0.2Mn0.2)O2 (NCM622)) under four distinct pressure boundary conditions (I-II. clamping with two foam pads having varying compression force deflection (CFD) respectively, III. without foam pad, IV. unpressurized). One hundred of pre-experiment cycles determined the optimal external pressure (12.5 kPa) to slow down the degradation process. Subsequently, multi-cell paralleled cycling experiments were conducted for 1000 cycles. The capacity degradation of LFP and NCM cells with the optimal condition was 6.0 % and 12.6 % less than that of unpressurized cells. The electrochemical tests indicated that unpressurized cells had the fastest rate of lithium-ion loss, which is related to solid electrolyte interface (SEI) film growth and lithium plating. Post-mortem characterization analysis further revealed that the pressure boundary condition is crucial for the electrode morphology, pressure distribution, and gas generation, which affect battery degradation. The pressurized cells’ surface exhibited fewer instances of lithium plating. With the stiff foam clamped, pouch cell swelling can be absorbed while maintaining contact between cell components, resulting in fewer electrode folds and cracks. This study provides valuable insights for designing long-lifespan battery modules or packs.

A coupling method for CRUD mass calculation based on Eulerian-Eulerian two-fluid model

Abstract The corrosion products occur in the pressure boundary in the pressurized water reactor primary loop which is known as CRUD. CRUD could increase the risks of crud induced power shift and crud induced localized corrosion. The mechanism of CRUD production depends on nucleate boiling. Eulerian-Eulerian two-fluid model has been currently proved as effective means to understand flow boiling character. In this research, the input data of thermo-hydraulic parameter is obtained by CFD method. The CRUD mass has been calculated based on thermo-hydraulic and chemical coupled model. The main calculation code in this article is FLUENT and CAMPSIS. The calculation results show that the CRUD does most likely occur the 3rd grid mixing vanes from the top of the fuel rod. The maximum CRUD mass is closer to the position of onset of nucleate boiling.

Wetting and pressure gradient performance in a lattice Boltzmann color gradient model

An accurate implementation of wetting and pressure drop is crucial to correctly reproduce fluid displacement processes in porous media. Although several strategies have been proposed in the literature, a systematic comparison of them is needed to determine the most suitable for practical applications. Here, we carried out numerical simulations to investigate the performance of two widely used wettability schemes in the lattice Boltzmann color gradient model, namely, the geometrical wetting scheme by Leclaire et al. [Phys. Rev. E 95(3), 033306 (2017)](scheme-I) and the modified direction of the color gradient scheme by Akai et al. [Adv. Water Resour. 116, 56–66 (2018)] (scheme-II). We showed that scheme-II was more accurate in simulating static contact angles of a fluid droplet on a solid surface. However, scheme-I was more accurate in simulating a dynamic case of a binary fluid flow in a horizontal capillary tube described by the Washburn equation. Moreover, we investigated the performance of two popular pressure gradient implementation types. Type-I used the so-called Zou–He pressure boundary conditions at the inlet and the outlet of the domain, while type-II used an external body force as a pressure gradient. We showed that the type-I implementation was slightly more accurate in simulating a neutrally wetting fluid in a horizontal capillary tube described by the Washburn equation. We also investigated the differences between the two types of pressure gradient implementation in simulating two fluid displacement processes in a Bentheimer sandstone rock sample: the primary drainage and the imbibition displacement processes.

A Hermetic Package Technique for Multi-Functional Fiber Sensors through Pressure Boundary of Energy Systems Based on Glass Sealants

This paper presents a hermitic fiber sensor packaging technique that enables fiber sensors to be embedded in energy systems for performing multi-parameter measurements in high-temperature and strong radiation environments. A high-temperature, stable Intrinsic Fabry–Perot interferometer (IFPI) array, inscribed by a femtosecond laser direct writing scheme, is used to measure both temperature and pressure induced strain changes. To address the large disparity in thermo-expansion coefficients (TECs) between silica fibers and metal parts, glass sealants with TEC between silica optical fibers and metals were used to hermetically seal optical fiber sensors inside stainless steel metal tubes. The hermetically sealed package is validated for helium leakages between 1 MPa and 10 MPa using a helium leak detector. An IFPI sensor embedded in glass sealant was used to measure pressure. The paper demonstrates an effective technique to deploy fiber sensors to perform multi-parameter measurements in a wide range of energy systems that utilize high temperatures and strong radiation environments to achieve efficient energy production.

Structural integrity assessment of CANDU pressure tubes using Sobol indices for global sensitivity analysis

CANDU11CANDU is a registered trademark of Atomic Energy of Canada Limited. reactors are a channel-type design where up to 480 zirconium alloy pressure tubes (PTs) act as the reactor pressure boundary. Fitness-for-service standards such as CSA N285.8 (CSA Group, 2015) have been established to prescribe the requirements of pressure tube evaluations to maintain their integrity throughout their lifetime. Probabilistic leak-before-break (LBB) assessments can be used in evaluations to demonstrate that the likelihood of a flaw growing past the stability point while undetected (or before a safe shutdown can be achieved) is below regulatory limits. The assessments typically require a ranking of model parameters based on their influence. The ranking process traditionally uses expert judgment and local sensitivity analysis methods. There has been recent interest in implementing global methods for LBB assessments as they can manage large numbers of variables and extensive sampling spaces. However, their adoption is hindered by the computational cost of the models involved.The current study proposes a method for performing global sensitivity parameter rankings during probabilistic LBB assessments. The study is the continuation of the CANDU nuclear power plant (NPP) pressure tube (PT) case study in El Bouzidi et al., (2024) where a probabilistic approach was implemented in RAVEN (Rabiti and Alfonsi, 2019) to estimate whether the probability of unstable crack growth in PTs is within acceptable limits. This follow-up work proposes surrogate modeling using a high-dimensional model representation to derive Sobol indices and establish a parameter influence ranking. The methodology is demonstrated in a Monte Carlo simulation campaign of a pressure tube inlet rolled joint. The implemented approach successfully identified and quantified critical parameters of the model while efficiently ranking and quantifying the interactions between input variables.

Numerical assessment of using various outlet boundary conditions on the hemodynamics of an idealized left coronary artery model.

Vascular diseases are greatly influenced by the hemodynamic parameters and the accuracy of determining these parameters depends on the use of correct boundary conditions. The present work carries out a two-way fluid-structure interaction (FSI) simulation to investigate the effects of outlet pressure boundary conditions on the hemodynamics through the left coronary artery bifurcation with moderate stenosis (50%) in the left anterior descending (LAD) branch. The Carreau viscosity model is employed to characterise the shear-thinning behaviour of blood. The results of the study reveal that the employment of zero pressure at the outlet boundaries significantly overestimates the values of hemodynamic variables like wall shear stress (WSS), and time-averaged wall shear stress (TAWSS) compared with human healthy and pulsatile pressure outlet conditions. However, the difference between these variables is marginally low for human healthy and pulsatile pressure outlets. The oscillatory shear index (OSI) remains the same across all scenarios, indicating independence from the outlet boundary condition. Furthermore, the magnitude of negative axial velocity and pressure drop across the plaque are found to be higher at the zero pressure outlet boundary condition.

Extending gravitational potentials from the surface boundaries of compact objects

The solutions of the Einstein field equations of general relativity (GR) are prone to rendering systems which are physically non-viable as shown by Delgaty and Lake (1998). This does not detract from the success of general relativity but rather suggests the possibility for implementing new solution methods while being cautious that the resulting systems are indeed physically viable. This emphasizes the importance of applying appropriate criteria in closing the system of non-linear, coupled differential equations of GR. In the case of static systems describing massive compact bodies, an intrinsic property is the vanishing of the radial pressure at the surface boundary of the object which is embedded in an empty Schwarzschild exterior spacetime. In attempting to complete the gravitational description, we first assume a standard, physically plausible metric potential such as that of Finch and Skea. We then attempt to solve for the other metric component by imposing an ansatz which assists in extrapolating from the vanishing pressure boundary condition. Our model is guided by the physicality of the sound speed profiles and associated stability conditions.