Recent progress on the discrete element method simulations for powder transport systems: A review

Powder transport systems are ubiquitous in various industries, where they can encounter single powder flow, two-phase flow with solids carried by gas or liquid, and gas–solid–liquid three-phase flow. System geometry, operating conditions, and particle properties have significant impacts on the flow behavior, making it difficult to achieve good transportation of granular materials. Compared to experimental trials and theoretical studies, the numerical approach provides unparalleled advantages over the investigation and prediction of detailed flow behavior, of which the discrete element method (DEM) can precisely capture complex particle-scale information and attract a plethora of research interests. This is the first study to review recent progress in the DEM and coupled DEM with computational fluid dynamics for extensive powder transport systems, including single-particle, gas–solid/solid–liquid, and gas–solid–liquid flows. Some important aspects (i.e., powder electrification during pneumatic conveying, pipe bend erosion, non-spherical particle transport) that have not been well summarized previously are given special attention, as is the application in some new-rising fields (ocean mining, hydraulic fracturing, and gas/oil production). Studies involving important large-scale computation methods, such as the coarse grained DEM, graphical processing unit-based technique, and periodic boundary condition, are also introduced to provide insight for industrial application. This review study conducts a comprehensive survey of the DEM studies in powder transport systems.     

乌兰矿采矿现状及技术应对方案

本文分析了乌兰矿投产前期采矿现状及存在的主要问题,针对该矿所处蒙古国经济落后、投资风险大的现实状况,为避免生产中断、规避投资风险,早日回收前期投资考虑,采取了双斜坡道开拓、全尾胶结充填、高端壁空场嗣后充填采矿、多中段组合式连续开采等系列技术应对方案。大大降低了一次性投资规模及投资风险,前期投资得以快速回笼的同时,矿山产能也充分释放,确保了矿山的持续稳定,取得了较好的经济和社会效益。为海外地下近地表矿体开采矿山规避投资风险提供了很好的技术方案借鉴。     

Numerical simulation of a PEM fuel cell: Effect of tortuosity parameters on the construction of polarization curves

Fuel cells (PEMFCs) are considered a clean alternative for the production of electricity. To improve their efficiency, it is necessary to understand the transport phenomena that determine their performance. This work analyzes the effective diffusion coefficients in the gas diffusion and catalyst layers (GDL and CL, respectively) based on theories such as effective medium approximation and percolation theory of a 3D multiphase nonisothermal model of a single channel PEMFC. We calculate polarization curves with different effective diffusion models and tortuosity factors m, n using OpenFOAM. The best model that approaches to experimental data is the Tomadakis-Sotirchos model with n = 4.0. The exponent m that represents the tortuosity due to the geometry has a high impact on the polarization curve construction compared to the exponent n. High values of diffusibility do not mean high values of current densities showing that there are other phenomena involved, such as water flooding.     

Acid–base transport model depicting the dynamic pH response of interfacial reactions

Acid–base transport is integral to many important interfacial reactions in various fields of chemistry, but its theoretical foundation is lacked. Herein, a common acid–base transport model is established owing to the success in deriving buffer transport equations. This model is applicable to most buffer systems by flexibly integrating the transport equations in terms of buffer components, and is verified through the model relationships of buffer transport limiting current by using hydrogen evolution reaction experiments. Based on model calculations, two diagram approaches are proposed to depict the dynamic pH response and aid buffer operation optimizations. The model and methods allow us to quantify the rate-limiting effect of acid–base transport on interfacial reactions and to precisely control the effect through medium regulations. Furthermore, the model has laid the foundation of dynamic pH effect on species transformation and process mechanism, which can be of wide interest in the chemistry encompassing interfacial reactions.     

Study of Pb-based and Pb-free perovskite solar cells using Cu-doped Ni1-xO thin films as hole transport material

SCAPS solar cell simulation program was applied to model an inverted structure of perovskite solar cells using Cu-doped Ni_1-xO thin films as hole transport layer. The Cu-doped Ni_1-xO film were made by co-sputtering deposition under different deposition conditions. By increasing the amount of the Cu-dopant, the film crystallinity enhanced whereas the bandgap energy decreased. The transmittance of the thin films decreased significantly by increasing the sputtering power of copper. High quality, uniform, compact, and pin-hole free films with low surface roughness were achieved. The structural, chemical, surface morphology, optical, electrical, and electronic properties of the Cu doped Ni_1-xO films were used as input parameters in the simulation of Pb-based (MAPbI_3-xCl_x) and Pb-free (MAGeI₃) perovskite solar cells. Simulation results showed that the performance of both Pb-based and Pb-free perovskite solar cell devices significantly enhanced with Cu-doped Ni_1-xO film. The highest power conversion efficiency (PCE) for the Pb-free perovskite solar cell is 8.9% which is lower than the highest PCE of 17.5% for the Pb-based perovskite solar cell.     

Three-dimensional and anisotropic numerical analysis of a PEM fuel cell

In this study, the effects of cell temperature and relative humidity on charge transport parameters are numerically analyzed. In order to perform this analysis, three-dimensional and anisotropic numerical models are developed. The numerical models are integrated into the experimental values for anisotropic electrical conductivities, as depending on cell temperature and relative humidity, that were obtained from our previous study. The achieved results indicate that the values of current densities in the in-plane direction increase with increasing cell temperature and relative humidity, while the current densities reach a maximum in the rib regions for both the numerical model at the through-plane direction. The behaviors of electrolyte potentials are similar with changes in the cell temperature and relative humidity. In addition, the cathode electrical potentials in both the in-plane direction and through-plane direction do not change to a considerable amount with increasing cell temperature and relative humidity.     

Domain reversal and current transport property in BiFeO3 films

The electrical properties and domain reversal in BiFeO₃ ferroelectric films were studied using sandwiched heterostructures and piezoresponse force microscopy. A robust polarization state was observed, combined with a switchable domain pattern and a remanent polarization of approximately 100 μC cm^?2. In addition, domain reversal was explored using scanning probe microscopy. The results show that dipoles could be reversed along the direction of the electric field under a negative tip bias, leading to carrier gathering near the domain walls. The enhanced conductivity near the domain walls was owing to the discontinuous polarization boundary conditions. In addition, typical diode-like current transport properties are sensitive to various temperature conditions, which is attributed to the Schottky barriers at the contact interface. These findings extend the current understanding of domain texture reversal in ferroelectric films and shed light on their potential applications for future ferroelectric random-access memory operations over a wide temperature range.     

Inorganic Electron Transport Materials in Perovskite Solar Cells

In the past decade, the perovskite solar cell (PSC) has attracted tremendous attention thanks to the substantial efforts in improving the power conversion efficiency from 3.8% to 25.5% for single-junction devices and even perovskite-silicon tandems have reached 29.15%. This is a result of improvement in composition, solvent, interface, and dimensionality engineering. Furthermore, the long-term stability of PSCs has also been significantly improved. Such rapid developments have made PSCs a competitive candidate for next-generation photovoltaics. The electron transport layer (ETL) is one of the most important functional layers in PSCs, due to its crucial role in contributing to the overall performance of devices. This review provides an up-to-date summary of the developments in inorganic electron transport materials (ETMs) for PSCs. The three most prevalent inorganic ETMs (TiO₂, SnO_2, and ZnO) are examined with a focus on the effects of synthesis and preparation methods, as well as an introduction to their application in tandem devices. The emerging trends in inorganic ETMs used for PSC research are also reviewed. Finally, strategies to optimize the performance of ETL in PSCs, effects the ETL has on J–V hysteresis phenomenon and long-term stability with an outlook on current challenges and further development are discussed.     

Field-Effect Chiral Anomaly Devices with Dirac Semimetal

Charge-based field-effect transistors (FETs) greatly suffer from unavoidable carrier scattering and heat dissipation. Analogous to valley degree of freedom in semiconductors, chiral anomaly current in Weyl/Dirac semimetals is theoretically predicted to be nearly nondissipative over long distances, but still lacks experimental ways to efficiently control its transport. Here, field-effect chirality devices are demonstrated with Dirac semimetal PtSe₂, in which its Fermi level is close to the Dirac point in the conduction band owing to intrinsic defects. The chiral anomaly is further corroborated by the planar Hall effect and nonlocal valley transport measurement, which can also be effectively modulated by external fields, showing robust nonlocal valley transport with micrometer diffusion length. Similar to charge-based FETs, the chiral conductivity in PtSe₂ devices can be modulated by electrostatic gating with an ON/OFF ratio of more than 10³. Basic logic functions in the devices are also demonstrated with electric and magnetic fields as input signals.