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"Coupling methods"
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Numerical simulation of impact and entrainment behaviors of debris flow by using SPH–DEM–FEM coupling method
2022
Increasing rain levels can easily destabilize and destroy particulate matter in mountainous areas, which can cause natural disasters, such as debris flow and landslides. Constitutive equations and numerical simulation are the theoretical bases for understanding the behavior of these disasters. Thus, this study aimed to investigate the impact of the debris flow and its entrainment behavior on gully bed sediments. We adopted a coupled analysis method based on elastic–plastic constitutive equations by considering the elasto-plasticity of slurry and the elastic characteristics of debris materials. The coupled method consisted of smooth particle hydrodynamic (SPH), discrete element method (DEM), and finite element method (FEM) (SPH–DEM–FEM). SPH particles represented fluid, DEM particles denoted solid immersed in fluid, and FEM elements represented the terrain and structures. The coupling analysis model was used to simulate the coupling contact of solid, liquid, and structures and to describe the entrainment behavior between solid and liquid phases. The model feasibility was verified by comparing the basic simulation results with experimental values of the dam break model and the rotating cylindrical tank model. The coupled model was then combined with the data management and modeling of geographic information system to simulate the 2010 Yohutagawa debris flow event. Finally, we explored the influence of debris shape-related parameters on the debris flow erosion entrainment process.
Journal Article
Decarboxylative cross-nucleophile coupling via ligand-to-metal charge transfer photoexcitation of Cu(ii) carboxylates
by
Gockel, Samuel N.
,
Lutovsky, Grace A.
,
DeGlopper, Kimberly S.
in
639/638/403/933
,
639/638/439/890
,
639/638/549/933
2022
Reactions that enable carbon–nitrogen, carbon–oxygen and carbon–carbon bond formation lie at the heart of synthetic chemistry. However, substrate prefunctionalization is often needed to effect such transformations without forcing reaction conditions. The development of direct coupling methods for abundant feedstock chemicals is therefore highly desirable for the rapid construction of complex molecular scaffolds. Here we report a copper-mediated, net-oxidative decarboxylative coupling of carboxylic acids with diverse nucleophiles under visible-light irradiation. Preliminary mechanistic studies suggest that the relevant chromophore in this reaction is a Cu(
ii
) carboxylate species assembled in situ. We propose that visible-light excitation to a ligand-to-metal charge transfer (LMCT) state results in a radical decarboxylation process that initiates the oxidative cross-coupling. The reaction is applicable to a wide variety of coupling partners, including complex drug molecules, suggesting that this strategy for cross-nucleophile coupling would facilitate rapid compound library synthesis for the discovery of new pharmaceutical agents.
Direct coupling methods, which do not require substrate prefunctionalization, are highly desirable for the construction of complex molecular scaffolds. Now, a photochemical method has been developed for the direct decarboxylative coupling of carboxylic acids with diverse nitrogen, oxygen and carbon nucleophiles, taking advantage of the photochemistry of copper(II) carboxylate complexes assembled in situ.
Journal Article
A fluid‐solid coupling method for the simulation of gas transport in porous coal and rock media
2019
Understanding coal and rock permeability, and the corresponding influence on stress, is important in the field of energy development. In applied engineering, there is a tendency to employ three‐dimensional methods that are simpler, less time‐ and cost‐expensive, less computationally expensive, and larger scale. Thus, a numerical simulation fluid‐solid coupling method is proposed in this paper. The proposed numerical simulation method utilizes the stress‐permeability test results for elastic and plastic coal samples. The permeability models of the elastic and plastic coal samples under loading and unloading were obtained by fitting the experimental results and embedded them into FLAC3D software by using FISH language. The results of the uniaxial and triaxial flow simulations are consistent with the experimental results, thereby confirming the accuracy and feasibility of the numerical method proposed in this paper. This allows the permeability of the numerical reservoir model to be continuously updated according to the current stress level in the production process. The numerical simulation method was built based on the stress‐permeability test of an elastic and fractured coal sample. The permeability models of the elastic and fractured coal sample under loading and unloading processes were obtained by fitting the experimental results and embedded into FLAC3D software using the FISH language. This allows the permeability of the numerical reservoir model to be continuously updated according to the current stress level in the production process.
Journal Article
Palladium-catalyzed carbon-sulfur or carbon-phosphorus bond metathesis by reversible arylation
2017
Compounds bearing aryl-sulfur and aryl-phosphorus bonds have found numerous applications in drug development, organic materials, polymer science, and homogeneous catalysis. We describe palladium-catalyzed metathesis reactions of both compound classes, each of which proceeds through a reversible arylation manifold. The synthetic power and immediate utility of this approach are demonstrated in several applications that would be challenging to achieve by means of traditional cross-coupling methods. The C(sp²)–S bond metathesis protocol was used in the depolymerization of a commercial thermoplastic polymer and in the late-stage derivatization of a drug. The C(sp²)–P variant led to the convenient preparation of a variety of phosphorus heterocycles, including a potential chiral ligand and fluorescent organic materials, via a ring-closing transformation.
Journal Article
Remote carboxylation of halogenated aliphatic hydrocarbons with carbon dioxide
by
Moragas, Toni
,
Martin, Ruben
,
Cornella, Josep
in
639/638/403/933
,
639/638/549
,
639/638/77/888
2017
A nickel catalyst that promotes carboxylation of halogenated hydrocarbons at remote aliphatic sites with carbon dioxide via tunable and controllable chain-walking is described.
Remote carboxylation of saturated hydrocarbons
Functionalizing a specific position on a molecule other than the initial reaction site is a key challenge in synthetic chemistry. Several recent strategies for remote functionalization make use of complex transition-metal complexes to direct bond formation at distant sites. Here, Ruben Martin and colleagues use a cheap and abundant nickel catalyst that adds into a carbon–bromine bond, walks along a hydrocarbon chain and adds carbon dioxide at the terminal position, regardless of where it began. Through a two-step procedure that uses feedstock chemicals, a mixture of saturated hydrocarbons or alkenes can be transformed into a single carboxylic acid product. On carbonyl-containing substrates, the direction of chain migration can be controlled and inverted simply by raising the temperature by 30 degrees Celsius, which switches the reaction from kinetic to thermodynamic control.
Catalytic carbon–carbon bond formation has enabled the streamlining of synthetic routes when assembling complex molecules
1
. It is particularly important when incorporating saturated hydrocarbons, which are common motifs in petrochemicals and biologically relevant molecules. However, cross-coupling methods that involve alkyl electrophiles result in catalytic bond formation only at specific and previously functionalized sites
2
. Here we describe a catalytic method that is capable of promoting carboxylation reactions at remote and unfunctionalized aliphatic sites with carbon dioxide at atmospheric pressure. The reaction occurs via selective migration of the catalyst along the hydrocarbon side-chain
3
with excellent regio- and chemoselectivity, representing a remarkable reactivity relay when compared with classical cross-coupling reactions. Our results demonstrate that site-selectivity can be switched and controlled, enabling the functionalization of less-reactive positions in the presence of
a priori
more reactive ones. Furthermore, we show that raw materials obtained in bulk from petroleum processing, such as alkanes and unrefined mixtures of olefins, can be used as substrates. This offers an opportunity to integrate a catalytic platform en route to valuable fatty acids by transforming petroleum-derived feedstocks directly
4
.
Journal Article
A Review of Multi-Sensor Fusion SLAM Systems Based on 3D LIDAR
2022
The ability of intelligent unmanned platforms to achieve autonomous navigation and positioning in a large-scale environment has become increasingly demanding, in which LIDAR-based Simultaneous Localization and Mapping (SLAM) is the mainstream of research schemes. However, the LIDAR-based SLAM system will degenerate and affect the localization and mapping effects in extreme environments with high dynamics or sparse features. In recent years, a large number of LIDAR-based multi-sensor fusion SLAM works have emerged in order to obtain a more stable and robust system. In this work, the development process of LIDAR-based multi-sensor fusion SLAM and the latest research work are highlighted. After summarizing the basic idea of SLAM and the necessity of multi-sensor fusion, this paper introduces the basic principles and recent work of multi-sensor fusion in detail from four aspects based on the types of fused sensors and data coupling methods. Meanwhile, we review some SLAM datasets and compare the performance of five open-source algorithms using the UrbanNav dataset. Finally, the development trend and popular research directions of SLAM based on 3D LIDAR multi-sensor fusion are discussed and summarized.
Journal Article
Digital Twin-Based Safety Risk Coupling of Prefabricated Building Hoisting
by
Liu, Zhansheng
,
Meng, Xintong
,
Xing, Zezhong
in
Architecture
,
Building information modeling
,
Construction accidents & safety
2021
Safety management in hoisting is the key issue to determine the development of prefabricated building construction. However, the security management in the hoisting stage lacks a truly effective method of information physical fusion, and the safety risk analysis of hoisting does not consider the interaction of risk factors. In this paper, a hoisting safety risk management framework based on digital twin (DT) is presented. The digital twin hoisting safety risk coupling model is built. The proposed model integrates the Internet of Things (IoT), Building Information Modeling (BIM), and a security risk analysis method combining the Apriori algorithm and complex network. The real-time perception and virtual–real interaction of multi-source information in the hoisting process are realized, the association rules and coupling relationship among hoisting safety risk factors are mined, and the time-varying data information is visualized. Demonstration in the construction of a large-scale prefabricated building shows that with the proposed framework, it is possible to complete the information fusion between the hoisting site and the virtual model and realize the visual management. The correlative relationship among hoisting construction safety risk factors is analyzed, and the key control factors are found. Moreover, the efficiency of information integration and sharing is improved, the gap of coupling analysis of security risk factors is filled, and effective security management and decision-making are achieved with the proposed approach.
Journal Article
Flow characteristics and dynamic responses of a parked straight‐bladed vertical axis wind turbine
by
Kuang, Limin
,
Han, Zhaolong
,
Zhao, Yongsheng
in
Alternative energy sources
,
Computational fluid dynamics
,
Computer simulation
2019
With the development of urbanization and the application of renewable energy, wind turbine is becoming an important approach for wind energy reservation and utilization. This study provides a numerical investigation on understanding the surface pressure distribution, flow characteristics and dynamic responses of a parked straight‐bladed vertical axis wind turbine (VAWT), which is helpful for its design. Together with the two‐way coupling method between simulation platforms such as STAR‐CCM+ and ABAQUS, the SST k‐ω turbulence model is used to obtain the surface pressure and surrounding flow of the VAWT, and the finite element method is used to obtain the dynamic responses of its structural components. The results show that the contours of the pressure distribution on the windward surface of the VAWT are similar even under a few different conditions, and the deformation of the VAWT can lead to changes in surface pressure; the turbulent flow characteristics and the wake effect become more obvious as the wind velocity increases; the blades and support arms of the VAWT need to be reinforced during the design, and the effect of the parked condition on the dynamic responses of the VAWT can be neglected. The two‐way coupling method as well as the numerical simulation results is expected to provide references for the design of VAWTs subjected to coming wind action. This study provides a numerical investigation on understanding the surface pressure distribution, flow characteristics, and dynamic responses of a parked straight‐bladed vertical axis wind turbine with the two‐way coupling method between STAR‐CCM+ and ABAQUS. The research methods as well as the simulation results are expected to provide references for the design of vertical axis wind turbines subjected to coming wind action.
Journal Article
Impact of conjugation strategies for targeting of antibodies in gold nanoparticles for ultrasensitive detection of 17β-estradiol
by
Yapuchura, Enrique Ronald
,
Prado, Adilson Ribeiro
,
Guimarães, Marco Cesar Cunegundes
in
17β-Estradiol
,
631/61/350/354
,
631/61/350/59
2019
Antibody-coated nanoparticles have recently attracted considerable attention, with the focus falling on diagnostics. Nevertheless, controlled antibody bioconjugation remains a challenge. Here, we present two strategies of bioconjugation with the aim of evaluating the best approach for the coupling of antibodies on the surface of nanomaterials in an oriented way. We employed electrostatic interaction (physical adsorption) and covalent conjugation in the orientation of antibodies on the metallic surface as coupling methods, and their influence on the detection of 17β-estradiol was addressed with localized surface plasmon resonance. The understanding of these mechanisms is fundamental for the development of reproducible inorganic bioconjugates with oriented surface as well sensibility of immunoassays.
Journal Article
Optimization Analysis for Pavement Construction Integrated Optical Fiber Sensors Based on DEM-FDM Coupled Method
2026
Today, distributed optical fiber sensors are widely used in structural health monitoring due to their high sensitivity and long-distance applicability. However, when embedded in pavement structures, distributed optical fiber sensors are always installed in a slotted buried fashion, which not only affects current pavement durability but also reduces pavement construction efficiency. In order to design clear requirements of in situ-embedded distributed optical fiber sensors for pavement construction, this study analyzes the micro-mechanical behavior of optical cables under the ultimate pavement compaction state based on a coupled DEM-FDM approach. According to the study results, it is found that when the pavement subbase was compacted, the maximum contact force of 13.2 mm aggregates in the Z-direction exceeds 150 N, which is the main resistance of the external load during pavement construction. The tight-buffered optical cable without reinforcement element and armored layer cannot withstand the vibration load. The inclusion of GFRP strengthening components and an armored layer decreased maximum stress by 38.2% (X), 30.6% (Y), and 30.9% (Z), as well as displacement by 64.6% (X), 45.5% (Y), and 66.7% (Z). Additionally, the thickness of the outer sheath enhanced the ability to withstand tension but not compression. The increase in the thickness of the armored layer can improve the ability to withstand tension and compression.
Journal Article