Numerical and experimental study of molten pool behaviour and defect formation in multi-material and functionally graded materials laser powder bed fusion

Laser powder bed fusion (LPBF) of multi-material and functionally graded materials (FGM) has attracted significant research interest due to its ability to fabricate components with superior performance compared with those manufactured with single powder material. However, the forming mechanisms of various defects remain unknown. In this paper, a DEM-CFD model was first established to obtain an in-depth understanding of this process. It was discovered that the defects including partially melted and un-melted Invar36 powder were embedded in the lower level of the powder layer; this was attributed to the low laser absorptivity, low melting point and high thermal conductivity of the Cu10Sn powder. Inter-layer defects were more likely to occur with an increased powder layer thickness. In addition, the scanned track width was found related to an equilibrium achieved among the thermal properties of the powder mixture. Process parameters were optimised to obtain FGM structures without defects in both horizontal and vertical directions. Invar36/Cu10Sn samples were fabricated with a multi-material LPBF system using different mixed powder contents and laser volumetric energy densities (VEDs). By increasing the VED, fewer defects were observed between the interface of two processed powder layers, which had a good agreement with the modelling results.     

Experimental and numerical analysis on the hydrodynamic behaviors of permeable microbial granules

The microbial granules are found to be porous and permeable, which leads to a different drag force coefficient from the rigid sphere granules. Discrete element method (DEM) was employed to establish geometric models of porous microbial granules for the first time in this study. And computational fluid dynamics (CFD) was applied to simulate the effects of porosity and Reynolds number on the fluid flow, shear stress, pressure and drag force based on the established geometric models. The results showed that both the Reynolds number and the porosity of microbial granules significantly affect the fluid velocity distribution inside the granules. The porosity shows less effect on maximum shear stress than Reynolds number. It s well known that drag force consists form drag and skin drag. The ratio of form drag to drag force increased, while the skin drag force ratio decreased with the increasing Reynolds number. The porosity will enhance the skin drag and weaken the form drag at the same Reynolds number. A drag force coefficient equation was established based on the simulated results in order for engineering application. The correctness of the equation was confirmed by comparing with experimental results. The results from this study may provide valuable information for operation and designing of a granule-based bioreactor in wastewater treatment.     

Numerical study on deposition of non-spherical shaped particles in cascade impactor

This study investigated the deposition of non-spherical particles in a cascade impactor using numerical simulations based on computational fluid dynamics and a discrete phase model (CFD-DPM). An optimum drag force model of non-spherical particles was used to calculate the dynamic behavior of the needle-shaped particles. The trajectory of these particles in an elbow pipe was computed and measured using a high-speed video camera. The computed trajectory agreed well with the experimental trajectory, and it was confirmed that the drag force model of non-spherical particles correctly expressed the drag force in the CFD-DPM numerical simulation. Next, the motion of the needle-shaped particles in a cascade impactor was numerically simulated and compared with that in the experimental results. The simulated classification efficiency agreed well with the experimental results. Additionally, the relationship between the aspect ratio of the needle-shaped particles and their behavior in the cascade impactor was numerically analyzed. The cut-off diameter decreased with the aspect ratio at a 50% classification efficiency in the cascade impactor. This was because the drag force of the particle was assumed to increase with the aspect ratio, and longer particles fell at a lower stage in the cascade impactor.     

Numerical investigation of diesel particulate matter dispersion in an underground development face during key mining activities

Diesel particulate matter (DPM) is carcinogenic to humans. Underground miners have a high risk of over-exposure to high concentrations of DPM. To control DPM effectively, it is essential to understand the DPM dispersion characteristics. In this study, the DPM distributions of three key and representative mining activities, shotcreting, charging and loading activity, in an underground development face were studied. A computational model for the mining activities was developed using 3D imagery, onsite data and OpenFOAM. Tracer gas experiments were first conducted in the underground mine for the validation of CFD simulation. The simulations were carried out at a steady-state using the standard k-ε turbulence model, and the transport and dispersion of DPM were modelled using a segregated species transport model. DPM distribution characteristics for each mining activity were analysed, and the regions with high concentration (>0.1 mg/m³) were identified, and the reasons for the high concentrations were also discussed. At last, the efficiency of the current auxiliary ventilation system on DPM dilution was evaluated based on the simulation results. The results show that a broader region with high DPM concentration was identified in the downstream of the loader during the loading activity, and this issue could be solved by simply increasing the ventilation rate. The findings in this paper could be used for optimizing the auxiliary ventilation design for future mining activities in this development face.     

Dry powder inhaler of colistimethate sodium for lung infections in cystic fibrosis: optimization of powder construction

Abstract

Colistimethate sodium (CMS) for treatment of lung infections in cystic fibrosis patient was transformed into a dry powder for inhalation by spray drying. Design of Experiment was applied for understanding the role of the spray-drying process parameters on the critical quality attributes of the CMS spray-dried (SD) powders and agglomerates thereof. Eleven experimental SD microparticle powders were constructed under different process conditions according to a central composite design. The SD microparticles were then agglomerated in soft pellets. Eleven physico-chemical characteristics of SD CMS microparticle powders or agglomerates thereof were selected as critical quality attributes. The yield of SD process was higher than 75%. The emitted fraction of agglomerates from RS01 inhaler was 75–84%, and the fine particle fraction (particles <5?µm) was between 58% and 62%. The quality attributes of CMS SD powders and respective agglomerates that were significantly influenced by spray-drying process parameters were residual solvent and drug content of the SD microparticles as well as bulk density and respirable dose of the agglomerates. These attributes were also affected by the combination of the process variables. The air aspiration rate was found as the most positively influential on drug and solvent content and respirable dose. The residual solvent content significantly influenced the powder bulk properties and aerodynamic behavior of the agglomerates, i.e. quality attributes that govern drug metering in the device and the particles lungs deposition. Agglomerates of CMS SD microparticles, in combination with RS01?DPI, showed satisfactory results in terms of dose emitted and fine particle fraction.     

Simulation and experimental study on the stone powder separator of a vertical shaft impact crusher

During the sand-making process, the stone powder produced by means of a vertical shaft impact (VSI) crusher affects the sand quality and pollutes the environment. This paper focuses on experiments and simulations with a stone powder separator (SPS) that is installed in a VSI crusher. Using FLUENT software, a coupling model of computational fluid dynamics (CFD) and the discrete phase model (DPM) is used to simulate the airflow distribution and particle traces in a VSI crusher. The stone powder separation and large particle retention performance are evaluated considering two important factors: the structure of the SPS and the air volume of the induced draft fan. The simulation results show that the air volume of the induced draft fan intuitively influences the particle traces and the distributions of particles of different sizes in the crushing chamber and the SPS chamber. There are many vortexes in the crushing chamber that cause the aggregate particles to be fully dispersed under the action of turbulence, and the SPS structure with radius decreasing from bottom to top can form an airflow velocity gradient in the SPS chamber and selectively remove particles according to size, thus improving the stone powder separation performance (SPSP). For this structure, when the air volume of the induced draft fan is set to approximately 40% of the maximum value, it can not only avoid large particles being massively removed but also ensure better SPSP of the device. Finally, the simulation results are verified by experiments. The results of this paper provide a reliable numerical model for the calculation of the flow field in a VSI crusher and provide a reference for the structural optimization of the stone powder separation device and for the selection of the best air volume of the induced draft fan.     

Numerical investigation of gas species and energy separation in the Ranque-Hilsch vortex tube using real gas model

A three dimensional Computational Fluid Dynamics (CFD) model is used to investigate the phenomena of energy and species separation in a vortex tube (VT) with compressed air at normal atmospheric temperature and cryogenic temperature as the working fluid. In this work the NIST real gas model is used for the first time to accurately compute the thermodynamic and transport properties of air inside the VT. CFD simulations are carried out using the perfect gas law as well. The computed performance curves (hot and cold outlet temperatures versus hot outlet mass fraction) at normal atmospheric temperature obtained with both the real gas model and the perfect gas law are compared with the experimental results. The separation of air into its main components, i.e. oxygen and nitrogen is observed, although the separation effect is very small. The magnitudes of both the energy separation and the species separation at cryogenic temperature were found to be smaller than those at normal atmospheric temperature.     

干式罗茨真空泵吸气级内流动的瞬态模拟

基于动网格方法建立了干式真空泵罗茨型吸气级的三维瞬态数值计算模型。模拟结果与抽速曲线对比,入口压力为1000 Pa时误差为11.5%,100 Pa时误差为34.2%,表明计算流体力学(CFD)方法不适用于入口压力较低及极限真空时真空泵内的流动研究,但在入口压力较高时具有较好的数值精度。由于干式真空泵的主要设计问题多集中于入口压力较高,负荷较大的运行工况,应用CFD方法研究干式真空泵的流动特性具有实用价值。文中计算了真空泵的性能参数,分析了泵腔内的流动现象和流场的主要特征。     

Influence of surface interaction between drug and excipient in binary mixture for dry powder inhaler applications

The present study documents the drug-excipient incompatibility in the physical mixtures and its influence on bulk homogeneity and flowability for dry powder inhalers (DPI) applications. Binary mixtures with the model drugs (aceclofenac; salbutamol sulphate) and lactose monohydrate were prepared separately at varied drug loading (1–33 wt.%), and their physicochemical properties were assessed using various characterization techniques. The DSC, P-XRD and FT-IR studies show a significant shift in the signature peak of drug and excipient while ss-NMR, LC-MS show the absence of peaks. In contrast, new peaks are observed in LC-MS and GC studies. The insights are comprehended through a series of XPS studies. The findings indicated the formation of condensed or addition compound. This is attributed to an interaction between polar protic groups (-NH-, -COOH, -OH) and hemiacetal carbon (HO-C-OR) of drug and excipient in the solid-state. It induces crystal strain and alters bulk properties related to mixing (relative standard deviation, %RSD), cohesion and flow function coefficient (FFC). However, surface modification of excipient using MgSt and aerosil R972 (model nano-particle) eliminates such inter-particle interactions, crystal level changes. It improves the bulk properties of binary mixtures pivotal for DPI performance.     

Optimized particle engineering of fluticasone propionate and salmeterol xinafoate by spray drying technique for dry powder inhalation

Asthma is one of the most common respiratory diseases that can be efficiently managed through combined treatment of fluticasone propionate (FP) and salmeterol xinafoate (SX). In this study, we challenged the use of both spray drying and mixing techniques in sequential combination of lactose or mannitol with FP and SX as two steps in development of inhalable powder formulation of the drugs. Leucine was used as a dispersibility enhancer. The formulations were optimized using the Design-Expert software. The effects of three independent variables namely the type of carrier, percentage of spray-dried carrier and the amount of leucine were investigated on in vitro deposition. The results showed that the maximum fine particle fraction (FPF) and the minimum particle size was belonged to formulation in which the percentage of leucine was 20% with respect to the total solid content and 50% of mannitol was used during spray drying, while the remaining 50% of it was applied in the physical mixing process. This study showed that not only the choice of carrier and additives for every drug combination, but also an optimized ratios of them during both spray drying and physical mixing can be crucial in developing suitable inhalable dry powder formulations.     

Exploring the influence of particle shape and air velocity on the flowability in the respiratory tract: a computational fluid dynamics approach

Dry powder inhalers (DPIs) are considered a main drug delivery system through pulmonary route. The main objective of this work is to study the flow of differently shaped microparticles in order to find the optimum shape of drug particles that will demonstrate the best flow to the deep lung. The flowability of particles in air or any fluid depends particularly on the drag force which is defined as the resistance of the fluid molecules to the particle flow. One of the most important parameters that affect the drag force is the particles’ shape. Computational simulations using COMSOL Multi Physics 5.2 software were performed for investigating the particles flow in the air pathways of lung, and the drag force was calculated for different particles shapes. This was accomplished by screening a set of 17 possible shapes that are expected to be synthesized easily in the micro-scale. In addition, the macro-scale behavior of the investigated shapes was also simulated so as to compare the behavior of the flowing particles in both cases. A very big difference was found between the behavior of particles’ flow in the micro and macro scales, but a similar behavior can be obtained if the flow velocity of the microparticles is very high. It was also found that the micro-triangle with aspect ratio 2:1 has the least drag force in both deep and upper lung; so, it should be the shape of choice during the process of particle synthesis for pulmonary drug delivery.     

Development of dry powder inhaler formulation loaded with alendronate solid lipid nanoparticles: solid-state characterization and aerosol dispersion performance

Alendronate sodium is a bisphosphonate drug used for the treatment of osteoporosis and acts as a specific inhibitor of osteoclast-mediated bone resorption. Inhalable solid lipid nanoparticles (SLNs) of the alendronate were successfully designed and developed by spray-dried and co-spray dried inhalable mannitol from aqueous solution. Emulsification technique using a simple homogenization method was used for preparation of SLNs. In vitro deposition of the aerosolized drug was studied using a Next Generation Impactor at 60?L/min following the methodology described in the European and United States Pharmacopeias. The Carr’s Index, Hausner ratio and angle of repose were calculated as suitable criteria for estimation of the flow behavior of solids. Scanning electron microscopy showed spherical particle morphology of the respirable particles. The proposed spray-dried nanoparticulate-on-microparticles dry powders displayed good aerosol dispersion performance as dry powder inhalers with high values in emitted dose, fine particle fraction and mass median aerodynamic diameter. These results indicate that this novel inhalable spray-dried nanoparticulate-on-microparticles aerosol platform has great potential in systemic delivery of the drug.     

An expression for contact area between particles in a powder compact in terms of the porosity

An equation for contact area between powder particles in a powder compact, in terms of the porosity, has been derived using a geometry representing spherical voids of different sizes distributed in a material matrix. This equation is verified using experimental data as well as results obtained from computer simulation of powder compaction using a finite element method.     

Discrete element modeling and experimental investigation of hot pressing of intermetallic NiAl powder

This paper presents the numerical and experimental analysis of hot pressing of NiAl powder with an emphasis on the best possible representation of its main stages: initial powder compaction and pressure-assisted sintering. The numerical study has been performed within the discrete element framework. In the paper, an original viscoelastic model of hot pressing has been used. In order to ensure that the applied values of material parameters in numerical simulations are appropriate, the reference literature has been reviewed. It produced the relations and equations to estimate the values of all required sintering material parameters of the considered viscoelastic model. Numerical simulations have employed the geometrical model of the initial dense specimen generated by a special algorithm which uses the real grain distribution of powder. The numerical model has been calibrated and validated through simulations of the real process of hot pressing of intermetallic NiAl material. The kinetics of compaction, sintering and cooling stage indicated by the evolution of density, shrinkage and densification rate have been studied. The comparison of numerical and experimental results has shown a good performance of the developed numerical model.     

Predicting dust emissions – Experimental study compared to coupled DEM/CFD simulations using a reference test bulk material

The awareness of dust emissions is crucial regarding safe industrial processes, environmental protection and health care. For this purpose, closely linked experimental and numerical investigations are performed. This work presents the results of an experimental study which is used for the calibration of a modelling framework based on the Discrete Element Method (DEM) coupled with Computational Fluid Dynamics (CFD) and applied for the calculation of dust emissions for predictive purposes. The key objective of the approach is to come up with a dust source term which enables to describe and to quantify the release of particle emissions. For the presented experimental study, a wind tunnel and a rotating drum setup, which cover various handling types of bulk materials, are used in order to gain data about parameters having an impact on the dust release. The special feature of the investigations is the use of a reference test bulk material which represents a bulk material in its generally main fractions, the fine and the coarse material, keeping the discrepancy between experiments and simulations low. With the help of the experimental results the calibration of the simulation model was carried out and followed by a comparison.     

Numerical study on compression processes of cohesive bimodal particles and their packing structure

In this study, the compression characteristics of bimodal cohesive particles were investigated using a discrete element method (DEM) simulation. The compression and packing processes were simulated under different conditions of size ratios of 1–4 and fine particle mixing ratios of 0–0.5. The cohesive force was expressed using the surface energy proposed by the Johnson-Kendall-Roberts (JKR) cohesion model having a surface energy of 0–0.2 J/m². The calculated results demonstrated that even in the case of cohesive particles, an increase in the particle size ratio reduced the void fraction of the powder bed during the packing and compression processes. In addition, it was found that the cohesive force decreased the contact number, especially the coarse-coarse contacts, although it had little impact on the void fraction. Our DEM simulations suggested that it is necessary to evaluate the contact numbers even under similar void fractions, which will be essential in the case of different material mixtures, such as all-solid-state batteries.     

Micronized drug powders in binary mixtures and the effect of physical properties on aerosolization from combination drug dry powder inhalers

Objectives: To evaluate physicochemical properties of two micronized drugs, salbutamol sulfate (SS) and beclomethasone dipropionate (BDP) prepared as dry powder inhalation physical blends. Methods: Five different blends of SS:BDP ratios of 0:100, 25:75, 50:50, 75:25, and 100:0 (w/w) were prepared. Aerosolization performance was evaluated using a multistage impinger and a Rotahaler® device. Results: The median SS particle diameter was larger than BDP (4.33?±?0.37 µm compared to 2.99?±?0.15 µm, respectively). The SS appeared to have a ribbon-like morphology, while BDP particles had plate-like shape with higher cohesion than SS. This was reflected in the aerosolization performance of the two drugs alone, where SS had a significantly higher fine particle fraction (FPF) than BDP (12.3%, 3.1% and 2.9%, 0.2%, respectively). The study of cohesion versus adhesion for a series of SS and BDP probes on SS and BDP substrates suggested both to be moderately adhesive, verified using scanning Raman microscopy, where a physical association between the two was observed. A plot of loaded versus emitted dose indicated that powder bed fluidization was significantly different when the drugs were tested individually. Furthermore, the FPF of the two drugs from the binary blends, at all three ratios, were similar. Conclusions: Such observations indicate that when these two drugs are formulated as a binary system, the resulting powder structure is altered and the aerosolization performance of each drug is not reflective of the individual drug performance. Such factors could have important implications and should be considered when developing combination dry powder inhalation systems.     

Numerical modeling of the effects of oil on annular laminar film condensation in minichannels

This paper presents a numerical model to predict laminar film condensation heat transfer in small channels of different internal geometries for miscible refrigerant-oil mixtures. The model includes the contributions of surface tension, axial shear stresses induced by the vapor to film interface, gravitational forces, wall conduction and the oil concentration dependency on the liquid's dynamic viscosity. For the same operative conditions and fluid, the presence of the oil has a significant negative impact on the thermal performance at high vapor qualities, with the degradation depending on the channel's shape. Presently, the performance of different channel shapes (circular and flattened shapes) are simulated and compared. It is concluded that the presence of oil has slightly less effect on capillary-dominated regimes (i.e. when the surface tension has a strong effect on the film dynamics) than on gravity-dominated regimes (i.e. annular stratified regime).     

Charge source and the charging mechanism of the contact electrification of polymer powder

The charge sources, as well as the charging mechanism of the contact electrification (CE) of polymers, are still debatable. Since CE is accompanied by destruction, it is considered that “hard contacting” via ball milling can induce covalent bond scission and produce naked-activated-charge sources. Regarding “soft contacting” via nano-scale sliding, which does not induce covalent bond scission, a frontier-electron, “f-electron,” of the naked-activated-charge source is crucial to electron transfer among the naked-activated-charge sources. Here, we configure naked-activated-charge-source models, naked-activated-mechano-anion, and naked-activated-mechano-cation, which are produced by mechanical energy induced heterogeneous covalent bond scission, as well as naked-activated-mechano-radicals that are produced by homogeneous covalent bond scission. Regarding “soft contacting” among naked-activated-charge sources in a vacuum, f-electron can be transferred from a donor to an acceptor if the energy level of the donor is higher than that of the acceptor. The net amount of the normalized transferred-f-electrons is obtained by adopting settings in which the average energy level of the naked-activated-charge sources (as the donors) is higher than that of the sources employed as acceptors. Thus, the surfaces comprising the donors and acceptors will exhibit positive and negative net surface charges, respectively. We conclude that net surface charges depend on the average energy level of naked-activated-charge sources. Further, we observe that the alignment of polyethylene (PE)-polyvinyl chloride (PVC)-polytetrafluoroethylene (PTFE) to the average energy level is identical to that of the triboelectric series.