Article
Computer Science, Interdisciplinary Applications
Eun Hyun Park, Volodymyr Kindratenko, Youssef M. A. Hashash
Summary: This study focuses on applying parallelized polyhedral Discrete Element Method (DEM) and impulse-based DEM (iDEM) in large-scale simulations with realistic particle shapes. By optimizing the codes and developing new parallel algorithms, significant performance improvements were achieved, leading to successful reproduction of experiment results.
COMPUTERS AND GEOTECHNICS
(2021)
Article
Construction & Building Technology
Shihao Huang, Yu Qian, Yao Shan
Summary: The use of flexible membrane boundaries in ballast triaxial tests simulations can provide more realistic deformation and uniform confining pressure. However, it is uncertain whether the flexible membranes may overstate the results due to extra specimen confinement. Three-dimensional discrete element simulations were conducted to investigate this issue, showing that the flexible membrane affects the stress-strain response of the specimen when axial strain exceeds 1%. The stiffness and element size of the membrane also influence the extra confinement during shearing. A correlation model was developed to predict the extra confinement, which successfully predicted the restriction on triaxial test simulations.
CONSTRUCTION AND BUILDING MATERIALS
(2023)
Article
Engineering, Chemical
Fabio Biondani, Marco Morandini, Gian Luca Ghiringhelli, Mauro Terraneo, Potito Cordisco
Summary: The dissipative characteristics of particle dampers are difficult to predict due to their highly non-linear behavior. This study investigates the effect of two techniques, simplified frictional moment and reduction of contact stiffness, on the simulation efficiency, shear deformation capability of the particle bed, and prediction of dissipation performance. Numerical simulations are conducted over a wide range of motion regimes, frequencies, and amplitude levels, and compared with experimental results.
Article
Mechanics
Penghai Deng, Quansheng Liu, Xing Huang, Qi Liu, Hao Ma, Weiwei Li
Summary: The study proposed a method to measure the normal contact stiffness and found that an alpha value of 0.1448 is optimal for simulating rock crack propagation under different conditions. Proper selection of the alpha value can improve the reliability of FDEM numerical simulation results.
ENGINEERING FRACTURE MECHANICS
(2021)
Article
Multidisciplinary Sciences
Xiang Wang, Qiang Gao, Xiaoning Han, Bing Bu, Longfei Wang, Aoqi Li, Linhong Deng
Summary: Mechanical forces generated by cells and tension of the extracellular matrix play a crucial role in tissue morphology. A new method using highly stretchable polymer-based microstrings was developed to detect cell-derived forces during tissue densification, revealing the interaction between cells and ECM in soft tissue densification.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Mathematics, Interdisciplinary Applications
Xu Liu, Nan Gui, Mengqi Wu, Takashi Hibiki, Xingtuan Yang, Jiyuan Tu, Shengyao Jiang
Summary: Based on the concept of embedded discrete element (EDE), the force distribution on the particle boundary is obtained using the discrete element method (DEM). EDE covers the particle boundary for dealing with the distribution of particle-particle contact forces. The contact between particles on the boundary is transformed into contact between edges.
COMPUTATIONAL PARTICLE MECHANICS
(2023)
Article
Construction & Building Technology
Peifeng Han, Xingkai Li, Hao Cheng, Hongzhi Qiu
Summary: This study investigated the impact dynamics of three granular materials through numerical simulation using the discrete element method. The results showed that spherical granular material had the best cushioning capacity and the sensitivity of impact pressure to particle shape depended on the initial impact velocity. Moreover, as the velocity increased, the probability distribution function of weak contact force decreased while the strong contact force increased.
CASE STUDIES IN CONSTRUCTION MATERIALS
(2023)
Article
Engineering, Chemical
Yu Guo, Qingzhao Liu, Yanjie Li, Zhenhua Li, Hanhui Jin, Carl Wassgren, Jennifer S. Curtis
Summary: Research on contact force models during uniaxial compression of fiber assemblies using the discrete element method indicates that geometry-dependency and material plasticity have significant impacts on load predictions, highlighting the importance of accurately considering plastic deformation of fibers in simulations.
Article
Engineering, Geological
John de Bono, Glenn McDowell
Summary: This paper presents a new model for particle-scale simulations of clay using the discrete element method (DEM). The model features realistically-shaped platelets with separate interactions between the various platelet surfaces. Simulations of isotropic normal compression and triaxial shearing are performed. The results show the establishment of a normal compression line and, for the first time, a critical state line, which appears linear in q-p space and provides insights into a state boundary surface for the clay.
Article
Construction & Building Technology
Jing Chen, Rui Gao, Yangzepeng Liu, Zhizheng Shi, Ronglong Zhang
Summary: The results of large-scale direct shear tests on coal-fouled ballast show that increasing fouling fines decreases both the shear strength and the volume dilation of ballast aggregates. DEM numerical models were used to investigate the microscopic characteristics and explore the size gradation effect of fouling fines on the mechanical behavior of ballast aggregates. The fouled ballast aggregates exhibit lower shear stresses, volume dilations, peaking shearing resistance angles and dilation angles compared to clean ballast.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Review
Engineering, Chemical
Kamyar Kildashti, Kejun Dong, Aibing Yu
Summary: This paper reviews the current status of contact force models for non-spherical particles, focusing on their relationships with the geometrical, material, and mechanical properties of the particles. The aim of the review is to improve the existing simplified contact force models used in discrete element method (DEM) simulations by selecting better models. The review covers contact force models based on the extension of the classical Hertz theory, the effects of different variables on contact force, and tangential force models for non-spherical particles. Based on the review, a set of improved contact force models for DEM is recommended to accurately predict contact force and area in emerging areas such as nanoparticles and additive manufacturing.
Article
Engineering, Chemical
Dheeraj Minglani, Abhishek Sharma, Harsh Pandey, Ram Dayal, Jyeshtharaj B. Joshi
Summary: The study focuses on investigating the flow behavior of granular materials in a screw feeder by changing its geometric and operating parameters, using simulations to quantify the performance. The results show that the average particle speeds and contact forces are influenced by rotational speed, particle feed rate, and flight pitch ratio, with smaller particle diameters leading to higher swirl and radial speeds.
Article
Engineering, Chemical
Graham Calvert, Hossein Ahmadian, Mojtaba Ghadiri
Summary: A new Particle Shear and Impact tester is introduced in this study to simulate the stress conditions that granules experience in manufacturing plants, enabling the assessment of attrition or fragmentation propensity of granules. By adjusting the roller gap size, the contact force distribution can be varied to calibrate the appropriate gap size for replicating plant stresses.
ADVANCED POWDER TECHNOLOGY
(2021)
Article
Engineering, Chemical
Xianfeng Wang, Wenji Li, Jun Ren, Qiling Luo, Yuan Fang, Feng Xing
Summary: The study proposed a speed-up method with reduced Young's modulus to analyze the maximum contact force between particles, which was verified to be effective through experiments.
Article
Computer Science, Interdisciplinary Applications
Cristian C. Lalescu, Berenger Bramas, Markus Rampp, Michael Wilczek
Summary: The study introduces a particle tracking algorithm for large-scale parallel pseudo-spectral simulations of turbulence that can handle billions of tracer particles efficiently. By using a task-based method, resource utilization is improved and computational costs of particle tracking are reduced.
COMPUTER PHYSICS COMMUNICATIONS
(2022)
Article
Engineering, Chemical
Darius Markauskas, Stefan Platzk, Harald Kruggel-Emden
Summary: This study numerically analyzes the pneumatic conveying of flexible biomass particles and investigates the relevant factors in gas flow. The results demonstrate that the particle stiffness, bond damping, mass flow rate, length, and gas inflow velocity significantly affect the particle trajectories and pressure drop.
Article
Engineering, Chemical
Suada Djukaj, Jiri Kolar, Robert Lehocky, Ales Zadrazil, Frantisek Stepanek
Summary: Dissolution testing is widely used to measure drug release rate and behavior. An optimization framework is proposed to design a PSD that results in a prescribed dissolution profile, reducing experimental time. The model shows good agreement between simulated and experimental data, indicating the framework's potential to determine the required PSD efficiently.
Article
Chemistry, Physical
Shoya Mohseni-Mofidi, Eric Drescher, Harald Kruggel-Emden, Matthias Teschner, Claas Bierwisch
Summary: This paper proposes a methodology to numerically investigate erosion behavior of ductile materials and develops a new contact model. The numerical predictions of erosion are compared with experiments, showing accurate prediction of erosion behavior as a function of impact angle. Using this methodology, the effect of solid particle shapes is studied and conclusions are drawn.
Article
Chemistry, Multidisciplinary
Ondrej Navratil, Jiri Kolar, Ales Zadrazil, Frantisek Stepanek
Summary: A mathematical model for the fluid-bed coating process design was presented in this study, and a custom-built drying cell was used for data collection and validation. The obtained mathematical model and experimental methodology are of great significance for predicting pharmaceutical coating processes.
PHARMACEUTICAL RESEARCH
(2022)
Article
Pharmacology & Pharmacy
Jakub Petrik, Ondrej Rychecky, Tereza Krejci, Lucia Becherova, Dan Trunov, Maximilian Prachar, Ondrej Navratil, Pavel Zvatora, Lukas Krejcik, Ondrej Dammer, Josef Beranek, Petr Kozlik, Tomas Krizek, Miroslav Soos, Jakub Hert, Samuele Bissola, Simone Berto, Frantisek Stepanek
Summary: This study investigated the physicochemical properties and stability of a novel lipid-based formulation, finding that the oil marble cores remained stable both physically and chemically over 12 months of storage, and exhibited good dissolution performance in in vitro testing.
Article
Engineering, Chemical
Albert Bauer, Georg Maier, Marcel Reith-Braun, Harald Kruggel-Emden, Florian Pfaff, Robin Gruna, Uwe Hanebeck, Thomas Laengle
Summary: A DEM-CFD model of an optical belt sorter was compared extensively with experiments, and the model's accuracy was evaluated. The results showed that the numerical model could reproduce the experimental results with high accuracy.
CHEMIE INGENIEUR TECHNIK
(2023)
Article
Geochemistry & Geophysics
Bryan Euser, Christopher W. Johnson, Robert A. Guyer, Esteban Rougier, Carly M. Donahue, George D. Guthrie, Antonio Munjiza, Paul A. Johnson
Summary: Characterizing fluid flow in porous and permeable materials is crucial for energy and hydrological applications, but measuring permeability in situ is challenging. However, the mechanical responses, such as strain fields and acoustic emissions, can provide important clues to fluid flow and permeability. In this study, we numerically investigate fluid flow through a channel with a particle bed and analyze the strain and acoustic emission in the confining side blocks for different inlet velocities and particle bed configurations. We find a direct correspondence between strain, acoustic emission, and permeability, suggesting that they can be used for remote monitoring.
EARTH AND PLANETARY SCIENCE LETTERS
(2023)
Article
Medicine, Research & Experimental
Martin Balouch, Katerina Storchmannova, Frantisek Stepanek, Karel Berka
Summary: Encapsulation into liposomes is a formulation strategy that improves drug efficacy and reduces side effects. However, some drugs are not suitable for liposomal formulations due to their properties. Several options for solving this issue include changing the lipid bilayer composition, adding permeability enhancers, or modifying the chemical structure of the drug.
MOLECULAR PHARMACEUTICS
(2023)
Article
Engineering, Chemical
Daniel Schulz, Simon R. Reinecke, Nadja Woschny, Eberhard Schmidt, Harald Kruggel-Emden
Summary: Dust detachment from bulk solids due to particle-fluid interaction is simulated using a combination of the unresolved DEM coupled with CFD. The detachment of individual dust particles adhered to a single bulk particle is numerically investigated, and force related detachment functions applicable in the unresolved DEM/CFD are derived based on empirical expressions for the fluid force. The newly derived approach is benchmarked at the bulk level and allows for a more detailed prediction of dust detachment.
Article
Instruments & Instrumentation
Georg Maier, Marcel Reith-Braun, Albert Bauer, Robin Gruna, Florian Pfaff, Harald Kruggel-Emden, Thomas Laengle, Uwe D. Hanebeck, Juergen Beyerer
Summary: Sensor-based sorting provides cutting-edge solutions for separating granular materials. Current line-scanning sensors used in these systems can only produce a single observation of each object without providing data on its movement. Recent studies suggest that using an area-scan camera can reduce characterization and separation error. A predictive tracking approach based on Kalman filters allows for estimating object paths and parameterizing motion models using a multiobject tracking system.
TM-TECHNISCHES MESSEN
(2023)
Article
Engineering, Chemical
Timo Dobler, Simon Buchheiser, Thomas Gaschler, Stefan Platzk, Harald Kruggel-Emden, Hermann Nirschl, Marco Gleiss
Summary: Solar cells, LCDs, and LEDs have become increasingly important, but they rely on rare metals that are only available in limited quantities. Recycling processes, particularly those that enable selective recovery of individual components, are gaining importance to meet rising demand. A possible method is particle-loaded solvent extraction followed by mechanical processing. Through laboratory tests, it was shown that the recovery and purification of rare metals like indium oxide can be achieved, making continuous and selective recovery feasible.
Article
Pharmacology & Pharmacy
Eliaska Petrova, Stanislav Chvila, Martin Balouch, Frantisek Stepanek, Jarmila Zbytovska
Summary: Imiquimod (IMQ) is an immunostimulating agent used in the treatment of basal cell carcinoma and actinic keratosis. However, its low solubility and poor skin bioavailability have posed challenges in dermal formulation. This study compared four forms of nanosystems (nanocrystals, liposomes, lipid nanocapsules, and nanoemulsion) in delivering IMQ to the skin tissue. Results showed that nanoemulsion and nanocrystals had the highest IMQ incorporation capacity, while liposomes and lipid nanocapsules were smaller in size. All nanoformulations demonstrated efficient delivery of IMQ to the skin tissue without undesirable permeation through the skin to acceptor.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Engineering, Chemical
S. R. Reinecke, S. Blahout, Z. Zhang, T. Rosemann, J. Hussong, H. Kruggel-Emden
Summary: Classical fractionation principles do not work well for microparticles, so specific methods are being developed for fractionating particles in that size range. One such approach is the use of serpentine microchannels, which have been mainly used for size fractionation but also seem to be effective for density fractionation. To optimize the design of these systems for size and density fractionation, detailed information on the combined influence of these factors on equilibrium streaks is needed. Using a coupled DEM-LBM simulation approach, we studied these effects and found that serpentine channels can effectively fractionate particles by density, with the greatest density dependency occurring at higher Reynolds numbers and in channel sections orthogonal to the main channel orientation.
Article
Engineering, Chemical
V. Brandt, J. Grabowski, N. Jurtz, M. Kraume, H. Kruggel-Emden
Summary: DEM-CFD is computationally demanding and limited to lab-scale systems, so coarse-graining approaches are used to summarize particles. This study compares force scaling models in different beds to eliminate influences and identifies optimal scaling rules based on physical parameters. It also analyzes fluidized beds to determine the suitability of scaling models for systems governed by both contact and hydrodynamic forces, providing recommendations for future simulations of industrial-scale particle systems.
Review
Horticulture
Christian Dittrich, Ralf Pecenka, Benjamin Selge, Christian Ammon, Harald Kruggel-Emden
Summary: This study investigates the influence of processing parameters, such as aperture setting, moisture content, and specific energy demand, during twin-screw extrusion on the fiber properties of poplar wood chips. The results show that the processed wood chip fibers have acceptable water-holding capacity when the appropriate aperture setting and specific energy demand are used.
Article
Engineering, Chemical
Bingyao Wang, Tianyi Cai, Xiaoshu Cai, Wu Zhou, Zeqi Liu
Summary: The size and morphology of nanoparticles significantly impact their performance. Current methods, such as electron microscopy or atomic force microscopy, have limitations in sample preparation, processing time, and quantitative characterization. Therefore, it is crucial to develop a fast, accurate, and statistical method for measuring nanoparticle size and morphology. In this study, a new method called polarized imaging dynamic light scattering (PIDLS) is proposed, which irradiates nanoparticles with a vertical linearly polarized laser beam and utilizes a polarization camera to collect dynamic light scattering images at different polarization directions. The method effectively determines particle size, morphology, and sphericity based on depolarization patterns and degree of linear polarization. PIDLS also enables simultaneous measurement of particle size and morphology distributions, allowing for the evaluation of particle uniformity. The effectiveness of PIDLS is validated with the measurement of five types of industrial titanium dioxide.
Article
Engineering, Chemical
Qingye Meng, Shuangling Zhong, Jingfei Wang, Zhenqian Zhang, Yan Gao, Xuejun Cui
Summary: In this study, a non-toxic natural polysaccharide, sodium alginate (SA), was developed for targeted delivery of curcumin (CUR) in tumor therapy. The CUR was coated in microcapsules using a quick, efficient, and environment-friendly sonochemical method. The microcapsules showed similar toxicity to free curcumin in anti-tumour evaluation and exhibited effective antibacterial properties. This research has the potential to provide a low-cost tumor targeting vector and can be promoted for clinical application.
Article
Engineering, Chemical
Christin Velten, Mirko Ebert, Christian Lessig, Katharina Zaehringer
Summary: Ray tracing Particle Image Velocimetry (RT-PIV) is an optical technique that corrects for distortions in velocity measurements caused by transparent geometries in challenging optical systems. This study focuses on the challenges and implications of using RT-PIV in a body centred cubic (bcc) sphere packing with gaseous flow, where transparent glass balls are used for optical access. The results demonstrate the effectiveness of the method in reconstructing velocity fields behind transparent spheres.
Article
Engineering, Chemical
Yanhao Ye, Ji Xu, Wei Ge
Summary: By modeling neighboring particles as a single coarse-grained particle, the discrete particle method (DPM) can now simulate industrial-scale particle-fluid systems. However, there is still a lack of a systematic approach to determine the properties and interaction models of these coarse-grained particles, which affects the predictability of the method. In this study, kernel functions for modeling the coarse-grained particles are constructed based on the analysis of collisions between predefined particle groups, and the model parameters are determined by equating the statistical properties of the coarse-grained particles to those of the real particles. This approach has been effective in simulating the homogeneous cooling of granular gas and experimental fluidized beds.
Article
Engineering, Chemical
Boris I. Kharisov, Oxana V. Kharissova, Lucy T. Gonzalez, Yolanda Pena Mendez, Igor E. Uflyand, Idalia Gomez de la Fuente
Summary: Hydroxyapatite (HA) composites with carbon allotropes and nanocarbons are rapidly developing in materials chemistry, especially for medical applications. These composites can be synthesized using various methods and exhibit biocompatibility and hemocompatibility, making them suitable for bone regeneration and wastewater treatment.
Article
Engineering, Chemical
Xing Li, Qun Chen, Zhaozhao Liu, Cheng Zhou, Chen Wang, Chen Chen
Summary: The particle size distribution (PSD) curve is an important expression of soil properties. However, existing characteristic parameters can only represent some points of the curve and fail to capture all the information. This paper introduces a new fraction characteristic parameter based on grading entropy and proposes a refined presentation method for the PSD curve. The new method not only represents the differences in curve width more accurately but also has higher discrimination ability. The application of this method in describing deposit distribution and predicting soil hydraulic conductivity is discussed. The research results can provide reference for the refined representation of PSD curves.
Article
Engineering, Chemical
Qingjin Zhang, Liangliang Fu, Guangwen Xu, Dingrong Bai
Summary: This study comprehensively analyzes the temperature effect on the minimum fluidization velocity (Umf) in fluidized-bed reactors. The analysis reveals the influence of temperature on Umf is determined by the relative importance of hydrodynamic forces and interparticle forces, which result in changes in gas properties, bed voidage, and physiochemical characteristics of particles. An equation is derived to predict the temperature influences on Umf under broad temperature conditions.
Article
Engineering, Chemical
Josephine Oppotsch, Matthias Steinke, Miriam Fritsch, Fritz -Herbert Heinsius, Thomas Held, Nikoline Hilse, Viktor Scherer, Ulrich Wiedner
Summary: This work is the second part of a simulation study on processing densely packed and moving granular assemblies using PEPT. A cost-effective PET-like detector system is being developed to overcome the high cost of PET scanners commonly used for PEPT. Monte Carlo simulations and Geant4 software were used to study the spatial resolution of different scenarios, and it was found that oversampling and iteration improved the resolution significantly.
Article
Engineering, Chemical
Lian Duan, Zhixun Xia, Yunchao Feng, Binbin Chen, Likun Ma, Jianxin Hu
Summary: In this study, boron-magnesium agglomerates with varying mass ratios were prepared and the combustion process of these agglomerates under different oxygen-rich concentrations were investigated. The results showed that when the mass fraction of magnesium powder in boron-magnesium agglomerates exceeded a certain threshold, a transient flameout process occurred. This process is affected by the magnesium content of the agglomerate and the oxygen concentration in the ambient atmosphere.
Article
Engineering, Chemical
Lixia Hou, Chunxiao Qu, Min Su, Zhihan Liang, Qi Hao
Summary: This study investigates the impact of polymer modified Fe3O4 nanoparticles on lysozyme (Lys) crystallization under different conditions, using functionalized Fe3O4 magnetic nanoparticles (Polymer C@Fe3O4) as nucleation agents. The findings show that the surface charge density of Polymer C@Fe3O4 is highest at a modification mass ratio of 8:3 for Fe3O4 to Polymer C. By adding 15% of the PolymerC@Fe3O4 prepared from Fe3O4 with an average particle size of 150 nm, magnetic core lysozyme (M-Lys) crystals with an average particle size of 11.08 mm, narrow size distribution, and regular morphology were obtained with a yield of 82.42% within 60 min.
Article
Engineering, Chemical
Fangling Hu, Liangliang Fu, Qingjin Zhang, Guangwen Xu, Dingrong Bai
Summary: This study proposes a method for synthesizing high-quality forsterite using abundant boron mud waste through high-temperature thermochemical reactions. The reaction can be completed rapidly at low temperatures due to the high reactivity of fine raw powder materials. The synthesized forsterite products exhibit high densification, well-developed grains, and an activation energy of 165.5 kJ/mol in the temperature range of 1100-1500°C. This study provides a low-cost method for producing forsterite and an efficient solution for treating solid waste.
Article
Engineering, Chemical
Yi Liu, Yunyan Guo, Rui Zhu, Jinqiang Zhou, Zhengxu Lin, Kai Han, Chongwei An, Jingyu Wang, Bidong Wu
Summary: Improved controllability and energy density of ignition agents are important for the development of energetic composite materials. In this study, HNS/CL-20 composite microspheres were prepared using droplet microfluidics and emulsification techniques with GAP as the binder. The microspheres exhibited higher sphericity and particle size uniformity compared to raw HNS, and retained the crystal structure of both HNS and CL-20. The microspheres also showed higher apparent activation energy, better safety performance, and good dispersibility, demonstrating excellent ignition performance and significant energy release effects.
Article
Engineering, Chemical
Max Kriegeskorte, Nikoline Hilse, Phil Spatz, Viktor Scherer
Summary: This study experimentally analyzed the particle mechanics of a single floor in a multiple hearth furnace. The results showed that increasing the blade angle led to an increase in the particle free surface area. The frequency distribution of the mean distance among particles provided information about the morphology of the particle bulk.
Article
Engineering, Chemical
Min Cai, Shuangzhu Kong, Sheng Chen, Mengxi Liu, Chunxi Lu
Summary: Reasonable reactor design is crucial for increasing the C2 yield in the oxidative coupling of methane (OCM). This study focused on large-scale fluidized bed reactors and conducted experiments and simulations to investigate their hydrodynamics and reaction performance. The results showed that the consecutive reactions of ethylene were severe in the bubbling fluidized bed (BFB) reactor due to gas back-mixing, high solids holdup, and non-uniform solids distribution, while they were negligible in the riser reactor. Both reactors achieved isothermal operation for the OCM process, with the riser reactor showing higher C2 selectivity and yield compared to the BFB reactor. This study provides valuable information for OCM reactor design and commercialization.
Article
Engineering, Chemical
Jiangkui Hu, Shijie Yang, Yingying Pei, Xilong Wang, Yulong Liao, Shuai Li, Aolong Yue, Jia-Qi Huang, Hong Yuan
Summary: This review discusses the interfacial issues in all-solid-state lithium batteries (ASSLBs) based on sulfide solid electrolytes (SEs) and high-voltage cathodes, and proposes strategies to stabilize the electrolyte/cathode interfaces. The future research direction of electrolyte/cathode interfaces and the application prospects of powder technology in sulfide-based ASSLBs are also discussed.