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1.
Sci Rep ; 14(1): 16726, 2024 Jul 20.
Artigo em Inglês | MEDLINE | ID: mdl-39030345

RESUMO

This research delves into the transfer and loss of energy in a discrete mass when subjected to forced vibration. Using discrete element method (DEM), we analyzed the dynamic behavior of regular spherical granular assemblies and the energy distribution characteristics under different excitation frequencies and reduced accelerations. Moreover, the energy transfer and dissipation process of granular assemblies under different vibration states are studied using an experimental method. The results show that the granular assemblies will produce collision energy dissipation, thermal energy dissipation, acoustic energy dissipation and other forms of energy dissipation in the forced vibration state and the proportion of different energy dissipation under different excitation is given. The collision and friction of granular assemblies are the key to affecting other forms of energy dissipation. When the excitation increases, the energy dissipation forms are generated inside the granular assemblies, and the proportion of collision energy dissipation of the granular assemblies increases. The acoustic energy above 20 kHz occupies the main part of the acoustic energy dissipation. Thermal energy consumption always exists, which takes a long time to play a role. The granular also have other forms of energy loss, which is hard to be measured, including Rayleigh waves generated by granular collision. In this study, the relationship between the forced vibration state of the granular assemblies and the energy loss distribution is established. Various types of energy transfer and conversion distribution which further enriches the energy dissipation of discrete element calculation of the granular assemblies is discussed and provides a reference for the energy loss analysis of the granular assemblies.

2.
Zhongguo Zhong Yao Za Zhi ; 49(12): 3152-3159, 2024 Jun.
Artigo em Chinês | MEDLINE | ID: mdl-39041075

RESUMO

In recent years, the application of numerical simulation in the research and development(R&D) as well as the pharmaceutical processes of new drugs has expanded considerably. The discrete element method(DEM), an important approach among numerical simulation methods, offers an effective tool for the simulation of discontinuous media. Referring to the research progress of DEM and the formulation of solid traditional Chinese medicine(TCM) preparations in recent years, this paper summarizes and analyzes the application of DEM in the pharmaceutical processes of solid TCM preparations, and discusses the challenges of its application in these processes, in order to provide new methods and ideas for promoting the high-quality production of TCM preparations.


Assuntos
Medicamentos de Ervas Chinesas , Medicina Tradicional Chinesa , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/análise , Química Farmacêutica/métodos , Composição de Medicamentos/métodos
3.
Materials (Basel) ; 17(14)2024 Jul 09.
Artigo em Inglês | MEDLINE | ID: mdl-39063674

RESUMO

Powder deposition of even and homogeneous layers is a major aspect of every powder bed fusion process. Powder sieving is commonly performed to powder batches outside of the PBF machine, prior to the part manufacturing stage. In this work, sieving is examined as a method of powder deposition rather than a method to solely filter out agglomerates and oversized particles. Initially, a DEM powder model that has been validated experimentally is implemented, and the sieving process is modelled. The sieving process is optimized in order to maximize mass flow, duration of its linear stage and total mass sieved during linearity. For this, a Taguchi design of experiments with subsequent analysis of variance is deployed, proving that the larger the initial powder loaded in the sieve, the larger the sieve stimulation necessary, both in terms of oscillating frequency and amplitude. The sieve's aperture shape is also evaluated, proving that the more sides the canonical polygon has, the less the mass flow per aperture for the same maximum passing particle size. Then, the quality of the layer produced via controlled sieving is examined via certain layer quality criteria, such as the surface roughness, layer thickness deviation, surface coverage ratio and packing density. The findings prove that controlled sieving can outperform powder deposition via a non-vibrated doctor blade recoater, both in terms of layer surface quality and duration of layer deposition, as proven by surface skewness and kurtosis evaluation.

4.
Materials (Basel) ; 17(13)2024 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-38998191

RESUMO

Fatigue cracking is one of the primary distresses of asphalt pavements, which significantly affects the asphalt pavement performance. The fatigue behavior of the asphalt mixture observed in the laboratory test can vary depending on the type of fatigue test and the dimension and shape of the test specimen. The variations can make it difficult to accurately evaluate the fatigue properties of the field asphalt concrete. Accordingly, this study proposed a reliable method to evaluate the fatigue behavior of the asphalt field cores based on discrete element modeling (DEM). The mesoscopic geometric model was built using discrete element software PFC (Particle Flow Code) and CT scan images of the asphalt field cores. The virtual fatigue test was simulated in accordance with the semi-circular bending (SCB) test. The mesoscopic parameters of the contacting model in the virtual test were determined through the uniaxial compression dynamic modulus test and SCB test. Based on the virtual SCB test, the displacement, contact forces, and crack growth were analyzed. The test results show that the fatigue life simulated in the virtual test was consistent with that of the SCB fatigue test. The fatigue cracks in the asphalt mixture were observed in three stages, i.e., crack initiation, crack propagation, and failure. It was found that the crack propagation stage consumes a significant portion of the fatigue life since the tensile contact forces mainly increase in this stage.

5.
Sci Rep ; 14(1): 15890, 2024 Jul 10.
Artigo em Inglês | MEDLINE | ID: mdl-38987611

RESUMO

As an unconventional reservoir sedimentary rock, shale contains a series of layers and various microstructures that lead to complex mechanical properties, such as the anisotropy of stiffness and strength. This study is directed towards the anisotropy caused by the microstructures of the shale, employing the 2D particle flow code (PFC2D) to explore stiffness, strength, failure mode, and micro-crack evolution. More realistic microstructures and the calibration of microscopic parameters of the shale are reasonably considered through the computed tomography (CT) images and mineral analysis. The corresponding numerical simulation results are fully compared with the experimental results. In what follows, the sensitivity analysis is conducted on the key microscopic parameters and microstructure characteristics in numerical samples with laminated characteristics. The results show that the influence of microscopic parameters of the parallel bonding model on macroscopic parameters is related to the layering angle and the face type, and the microstructures and initial cracks of numerical samples can considerably affect the macroscopic mechanical behaviors of the laminated samples. Next, the effect of confining pressure on the mechanical properties of layered shale is also discussed based on the numerical results. These findings highlight the potential of this approach for applications in micro-scaled models and calibration of microscopic parameters to probe mechanical behaviors of the laminated rock.

6.
Sci Rep ; 14(1): 17418, 2024 Jul 29.
Artigo em Inglês | MEDLINE | ID: mdl-39075152

RESUMO

Dry-wet cycles can cause significant deterioration of compacted loess and thus affect the safety of fill slopes. The discrete element method (DEM) can take into account the non-homogeneous, discontinuous, and anisotropic nature of the geotechnical medium, which is more capable of reflecting the mechanism and process of instability in slope stability analysis. Therefore, this paper proposes to use the DEM to analyze the stability of compacted loess slopes under dry-wet cycles. Firstly, to solve the complex calibration problem between macro and mesoscopic parameters in DEM models, an efficient parameter optimization method was proposed by introducing the chaotic particle swarm optimization with sigmoid-based acceleration coefficients algorithm (CPSOS). Secondly, during the parameter calibration, a new indicator, the bonding ratio (BR), was proposed to characterize the development of pores and cracks in compacted loess during dry-wet cycles, to reflect the impact of dry-wet action on the degradation of bonding between loess aggregates. Finally, according to the results of parameter calibration, the stability analysis model of compacted loess slope under dry-wet cycling was established. The results show that the proposed optimization calibration method can accurately reflect the trend of the stress-strain curve and strength of the actual test results under dry-wet cycles, and the BR also reflects the degradation effect of dry-wet cycles on compacted loess. The slope stability analysis shows that the DEM reflects the negative effect of dry-wet cycles on the safety factor of compacted loess slopes, as well as the trend of gradual stabilization with dry-wet cycles. The comparison with the finite element analysis results verified the accuracy of the discrete element slope stability analysis.

7.
Int J Pharm ; 660: 124316, 2024 Jul 20.
Artigo em Inglês | MEDLINE | ID: mdl-38857664

RESUMO

The push-pull osmotic pump tablet is a promising drug delivery approach, offering advantages over traditional dosage forms in achieving consistent and predictable drug release rates. In the current study, the drug release process of push-pull osmotic pump tablets is modelled for the first time using the discrete element method (DEM) incorporated with a microscopic diffusion-induced swelling model. The effects of dosage and formulation design, such as delivery orifice size, drug-to-polymer ratio, tablet surface curvature, friction between particles and cohesion of polymer particles, on the drug release performance are systematically analysed. Numerical results reveal that an enlarged delivery orifice significantly increases both the total drug release and the drug release rate. Moreover, the larger the swellable particle component in the tablet, the higher the drug release rate. Furthermore, the tablet surface curvature is found to affect the drug release profile, i.e. the final drug release percentage increases with the increasing tablet surface curvature. It is also found that the drug release rate could be controlled by adjusting the inter-particle friction and the cohesion of polymer particles in the formulation. This DEM study offers valuable insights into the mechanisms governing drug release in push-pull osmotic pump tablets.


Assuntos
Preparações de Ação Retardada , Sistemas de Liberação de Medicamentos , Liberação Controlada de Fármacos , Osmose , Comprimidos , Preparações de Ação Retardada/química , Polímeros/química , Química Farmacêutica/métodos , Modelos Teóricos
8.
Materials (Basel) ; 17(11)2024 May 27.
Artigo em Inglês | MEDLINE | ID: mdl-38893839

RESUMO

This paper presents a study on the mechanical properties of cement-stabilized steel-slag-based materials under freeze-thaw cycles for a highway project in Xinjiang. Using 3D scanning technology the specimen model conforming to the real steel slag shape was established. The objectives of the study are as follows: to explore the sensitivity between the macro- and micro-parameters of the specimen and to establish a non-linear regression equation; and to study the changes in mechanical properties of materials under freeze-thaw cycles, fatigue loading, and coupled freeze-thaw cycle-fatigue loading. The results show that there are three stages of compression damage of the specimen, namely, linear elasticity, peak plasticity, and post-peak decline. Maximum contact forces between cracks and particles occur mainly in the shear zone region within the specimen. The compression damage of the specimen is a mixed tensile-shear damage dominated by shear damage. When freeze-thaw cycles or fatigue loads are applied alone, the flexural strength and fatigue life of the specimens show a linear relationship of decline. The decrease in flexural modulus at low stress is divided into the following: a period of rapid decline, a relatively smooth period, and a period of fracture, with a tendency to change towards linear decay with increasing stress. In the case of freeze-thaw-fatigue coupling, the flexural modulus of the specimen decreases drastically by about 50% in the first 2 years, and then enters a period of steady decrease in flexural modulus in the 3rd-5th years.

9.
Materials (Basel) ; 17(11)2024 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-38894028

RESUMO

The compaction of asphalt pavement is a crucial step to ensure its service life. Although intelligent compaction technology can monitor compaction quality in real time, its application to individual asphalt surface courses still faces limitations. Therefore, it is necessary to study the compaction mechanism of asphalt pavements from the particle level to optimize intelligent compaction technology. This study constructed an asphalt pavement compaction model using the Discrete Element Method (DEM). First, the changes in pavement smoothness during the compaction process were analyzed. Second, the changes in the angular velocity of the mixture and the triaxial angular velocity (TAV) of the mortar, aggregates, and mixture during vibratory compaction were examined. Finally, the correlations between the TAV amplitude and the coordination number (CN) amplitude with the compaction degree of the mixture were investigated. This study found that vibratory compaction can significantly reduce asymmetric wave deformation, improving pavement smoothness. The mixture primarily rotates in the vertical plane during the first six passes of vibratory compaction and within the horizontal plane during the seventh pass. Additionally, TAV reveals the three-dimensional dynamic rotation characteristics of the particles, and the linear relationship between its amplitude and the pavement compaction degree aids in controlling the compaction quality of asphalt pavements. Finally, the linear relationship between CN amplitude and pavement compaction degree can predict the stability of the aggregate structure. This study significantly enhances quality control in pavement compaction and advances intelligent compaction technology development.

10.
Polymers (Basel) ; 16(11)2024 May 29.
Artigo em Inglês | MEDLINE | ID: mdl-38891470

RESUMO

In the drum mixing of particulate polymers, segregation may occur. By measuring the mixing status in real time, it is possible to implement corrective measures to prevent separation and improve the efficiency of the process. This study aims to develop and validate a real-time vision system designed to monitor the mixing process of polymeric particles in a rotary drum mixer, employing a novel centroid-based model for determining the mixing index. The proposed centroid-based model is capable of addressing the radial particle segregation issue without the need for extra image-processing procedures like image subdivision or pixel randomization. This innovative approach greatly improves computational efficiency by processing over 68 image frames per second. The new processing method is 2.8 times faster than the gray-level co-occurrence matrix method and 21.6 times faster than the Lacey index approach. This significantly improves real-time monitoring capabilities and enables real-time image processing using only affordable single-board computers and webcams. The proposed vision-based system for monitoring rotary drum mixing has undergone validation via cross-validation using discrete element method simulations, ensuring its accuracy and reliability.

11.
Heliyon ; 10(11): e31686, 2024 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-38828324

RESUMO

In order to achieve numerical optimization of the pod pepper seed sowing device, the contact parameters of pod pepper seeds were calibrated, with the angle of repose used as the response value. A set of discrete element method (DEM) models of pod pepper seeds was developed to simulate the formation of seed repose angles using reverse engineering reconstruction techniques. An eight-factor, three-level response surface experiment based on the Box-Behnken central combination test method was performed to study the effects of various factors on the angle of repose of seeds. The angle of repose obtained from physical experiments with a value of 27.56° was taken as the target value. The optimal combination of parameters is obtained as follows: seed Poisson's ratio of 0.22, seed shear modulus of 15.47 MPa, seed-to-seed static friction coefficient of 0.25, seed-to-seed rolling friction coefficient of 0.67, seed-to-seed collision recovery coefficient of 0.64, seed-to-steel-plate static friction coefficient of 0.55, seed-to-steel-plate rolling friction coefficient of 0.45, and seed-to-steel plate collision recovery coefficient of 0.34. A two-sample t-test of the angle of repose obtained by the cylinder lifting method and the pumping plate method against the target value yielded P > 0.05, indicating the reliability of the simulation experiments.

12.
Pharmaceutics ; 16(6)2024 May 24.
Artigo em Inglês | MEDLINE | ID: mdl-38931829

RESUMO

Twin-screw granulation has emerged as a key process in powder processing industries and in the pharmaceutical sector to produce granules with controlled properties. This comprehensive review provides an overview of the simulation techniques and approaches that have been employed in the study of twin-screw granulation processes. This review discusses the major aspects of the twin-screw granulation process which include the fundamental principles of twin-screw granulation, equipment design, process parameters, and simulation methodologies. It highlights the importance of operating conditions and formulation designs in powder flow dynamics, mixing behaviour, and particle interactions within the twin-screw granulator for enhancing product quality and process efficiency. Simulation techniques such as the population balance model (PBM), computational fluid dynamics (CFD), the discrete element method (DEM), process modelling software (PMS), and other coupled techniques are critically discussed with a focus on simulating twin-screw granulation processes. This paper examines the challenges and limitations associated with each simulation approach and provides insights into future research directions. Overall, this article serves as a valuable resource for researchers who intend to develop their understanding of twin-screw granulation and provides insights into the various techniques and approaches available for simulating the twin-screw granulation process.

13.
Sci Rep ; 14(1): 10296, 2024 May 04.
Artigo em Inglês | MEDLINE | ID: mdl-38704464

RESUMO

This study combines laboratory experiments and discrete element simulation methods to analyze the mechanism and deterioration patterns of sandstone surrounding rock voiding the bottom of a heavy-haul railway tunnel. It is based on previously acquired measurement data from optical fiber grating sensors installed in the Taihangshan Mountain Tunnel of the Wari Railway. By incorporating rock particle wastage rate results, a method for calculating the peak strength and elastic modulus attenuation of surrounding rock is proposed. Research indicates that the operation of heavy-haul trains leads to an instantaneous increase in the dynamic water pressure on the bottom rock ranging 144.4-390.0%, resulting in high-speed water flow eroding the rock. After 1-2 years of operation, the bottom water and soil pressures increase by 526.5% and 390.0%, respectively. Focusing on sandstone surrounding rock with high observability, laboratory experiments were conducted to monitor the degradation stages of infiltration, particle loss, and voiding of rock under the action of dynamic water flow. The impact of water flow on the "cone-shaped" bottom rock deformation was also clarified. The extent of rock deterioration and voiding was determined using miniature water and soil pressure sensors in conjunction with discrete element numerical simulations. The measured rock particle loss was used as a criterion. Finally, a fitting approach is derived to calculate the peak strength and elastic modulus attenuation of surrounding rock, gaining insight into and providing a reference for the maintenance and disposal measures for the bottom operation of heavy-haul railway tunnels.

14.
Materials (Basel) ; 17(9)2024 Apr 26.
Artigo em Inglês | MEDLINE | ID: mdl-38730830

RESUMO

This study is aimed at examining the mesoscopic mechanical response and crack development characteristics of asphalt mixtures using the three-dimensional discrete element approach via particle flow code (PFC). The material is considered an assembly of three phases of aggregate, mortar, and voids, for which three types of contact are identified and described using a modified Burgers model allowing for bond failure and crack formation at contact. The laboratory splitting test is conducted to determine the contact parameters and to provide the basis for selecting three different load levels used in the indirect tensile fatigue test and simulation. The reliability of the simulation is verified by comparing the fatigue lives and dissipated energies against those from the test. Under cyclic loading, the internal tensile and compressive force chains vary dynamically as a response to the cyclic loading; both are initially concentrated beneath the top loading strip and then extend downward along the loading line. The compressive chains are oriented roughly vertically and develop an elliptic shape as damage grows, while the tensile chains are mostly horizontal and become denser. An analysis based on the histories of the numbers of different contact types indicates that damage mainly originates from bond failures among the aggregate particles and at the aggregate-mortar interfaces. In terms of location, cracking is initiated below the loading point (consistent with observations from the force chains) and propagates downward and laterally, leading to the macrocrack along the vertical diameter. The findings provide a mesoscopic understanding of the fatigue damage initiation and propagation in asphalt mixture.

15.
Materials (Basel) ; 17(10)2024 May 11.
Artigo em Inglês | MEDLINE | ID: mdl-38793336

RESUMO

This study employs the discrete element method to investigate the influence of particle size on the load-bearing characteristics of aggregates, with a specific emphasis on the aggregates used in escape ramp arrester beds. This study utilises the log edge detection algorithm to introduce an innovative approach for modelling irregularly shaped pebbles, integrating their physical properties into a comprehensive discrete element model to enhance the accuracy and applicability of simulations involving such pebbles. Meticulous validation and parameter calibration (friction coefficient: 0.37, maximum RMSE: 3.43) confirm the accuracy of the simulations and facilitate an in-depth examination of the mechanical interactions between aggregate particles at macroscopic and microscopic scales. The findings reveal a significant relationship between the particle size and load-bearing capacity of aggregates. Smaller pebbles, which are more flexible under pressure, can be packed more densely, thereby improving the distribution of vertical forces and increasing the concentration of local stress. This enhancement substantially increases the overall load-bearing capacity of aggregates. These discoveries hold significant implications for engineering practices, particularly in the optimisation of safety for truck escape ramps and in identifying the ideal sizes of pebbles with irregular shapes.

16.
Int J Pharm ; 658: 124224, 2024 Jun 10.
Artigo em Inglês | MEDLINE | ID: mdl-38740105

RESUMO

An industrial-scale pharmaceutical powder blending process was studied via discrete element method (DEM) simulations. A DEM model of two active pharmaceutical ingredient (API) components and a combined excipient component was calibrated by matching the simulated response in a dynamic angle of repose tester to the experimentally observed response. A simulation of the 25-minute bin blending process predicted inhomogeneous API distributions along the rotation axis of the blending container. These concentration differences were confirmed experimentally in a production-scale mixing trial using high-performance liquid chromatography analysis of samples from various locations in the bin. Several strategies to improve the blend homogeneity were then studied using DEM simulations. Reversing the direction of rotation of the blender every minute was found to negligibly improve the blending performance. Introducing a baffle into the lid at a 45° angle to the rotation axis sped up the axial mixing and resulted in a better final blend uniformity. Alternatively, rotating the blending container 90° around the vertical axis five minutes prior to the process end was predicted to reduce axial segregation tendencies.


Assuntos
Composição de Medicamentos , Excipientes , Pós , Pós/química , Excipientes/química , Composição de Medicamentos/métodos , Química Farmacêutica/métodos , Simulação por Computador , Tecnologia Farmacêutica/métodos , Cromatografia Líquida de Alta Pressão
17.
Ultrasonics ; 141: 107336, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38714061

RESUMO

This paper deals with the accurate modelling of ultrasonic wave propagation in concrete at the mesoscopic level. This was achieved through the development of a discrete element method (DEM) model capable of simulating elastic wave signals comparable to those measured experimentally. The main objective of the work was to propose a novel methodology for constructing a meso-scale model of concrete dedicated to the analysis of elastic wave propagation. All the material parameters necessary to prepare a numerical DEM model of concrete at the mesoscopic level were explored and explained. Calibration of the mechanical parameters of the DEM model to match the experimental values involved linking the local, micro-parameters between particles with the global response of the whole sample. The developed numerical model was further used to simulate the propagation of elastic waves in a cubic concrete sample, in the frequency range of 100-500 kHz. The results of the DEM calculations showed good agreement with the experimental ultrasonic signals.

18.
Sci Rep ; 14(1): 9060, 2024 Apr 20.
Artigo em Inglês | MEDLINE | ID: mdl-38643280

RESUMO

The damping coefficient serves to quantify the energy dissipation in particle collisions and constitutes a crucial parameter in discrete element simulations. Nevertheless, the factors influencing the damping coefficient remain unclear, and the damping coefficients of the majority of materials have not been precisely determined. In this investigation, the damping coefficients of eight representative particles were studied using the acoustic frequency sampling method, and the correlations between these coefficients and collision velocity, material density, and elastic modulus were analyzed. The findings indicate that damping coefficients exhibit insensitivity to velocity in strongly elastic and moderately elastic material particles. Conversely, for weakly elastic material particles, damping coefficients demonstrate an increase with rising velocity. The damping coefficient of metallic particles exhibits a linear relationship with material density and elastic modulus.

19.
Materials (Basel) ; 17(7)2024 Apr 04.
Artigo em Inglês | MEDLINE | ID: mdl-38612178

RESUMO

Advances in high-pressure grinding roll (HGPR) technology since its first commercial application in the cement industry include new roll wear protection techniques and new confinement systems. The latter contribute to reductions in the edge effects in an attempt to reach a more homogenous product size along the rolls. Additional advances in this technology have been made in recent years, while modeling and simulation tools are also reaching maturity and can now be used to subject such novel developments to detailed scrutiny. This work applies a hybrid approach combining advanced simulations using the discrete element method, the particle replacement model and multibody dynamics to a phenomenological population balance model to critically assess two recent advances in HPGR technology: spring-loaded cheek plates and the offset roller press. Force and torque controllers, included in the EDEM 2022.1 software, were used to describe the responses of the geometries in contact with the granular material processed. Simulations showed that while the former successfully reduced the lateral bypass of the material by as much as 65% when cheek plates became severely worn, the latter demonstrated lower throughput and higher potential wear but an ability to generate a finer product than the traditional design.

20.
Sci Rep ; 14(1): 8634, 2024 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-38622190

RESUMO

In this study, the impact of flow channel structures on the acceleration of metal particles in a vacuum environment is explored, with the aim of enhancinge the acceleration quality in the centrifugal impact molding of metal powders. To assess this phenomenon, three evaluation indices are introduced: the average speed of particles thrown V p , the average speed of the particles V all , and the particle velocity distribution Vf (t). Additionally, the effects of six distinct runner structures on the centrifugal acceleration of the particles are analyzed in this research. The findings indicate that the arc-shaped flow channel structure not only ensures a more consistent acceleration process but also results in a higher ejection speed, leading to an improved acceleration effect. The unique contribution of this study is the examination of the relationship between flow channel designs and particle accelerations in a vacuum.

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