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26 pages, 5716 KiB  
Article
Study on Vibration Control Systems for Spherical Water Tanks Under Earthquake Loads
by Jingshun Zuo, Jingchao Guan, Wei Zhao, Keisuke Minagawa and Xilu Zhao
Vibration 2025, 8(3), 41; https://doi.org/10.3390/vibration8030041 - 11 Jul 2025
Viewed by 265
Abstract
Ensuring the safety of large spherical water storage tanks in seismic environments is critical. Therefore, this study proposed a vibration control device applicable to general spherical water tanks. By utilizing the upper interior space of a spherical tank, a novel tuned mass damper [...] Read more.
Ensuring the safety of large spherical water storage tanks in seismic environments is critical. Therefore, this study proposed a vibration control device applicable to general spherical water tanks. By utilizing the upper interior space of a spherical tank, a novel tuned mass damper (TMD) system composed of a mass block and four elastic springs was proposed. To enable practical implementation, the vibration control mechanism and tuning principle of the proposed TMD were examined. Subsequently, an experimental setup, including the spherical water tank and the TMD, was developed. Subsequently, shaking experiments were conducted using two types of spherical tanks with different leg stiffness values under various seismic waves and excitation directions. Shaking tests using actual El Centro NS and Taft NW earthquake waves demonstrated vibration reduction effects of 34.87% and 43.38%, respectively. Additional shaking experiments were conducted under challenging conditions, where the natural frequency of the spherical tank was adjusted to align closely with the dominant frequency of the earthquake waves, yielding vibration reduction effects of 18.74% and 22.42%, respectively. To investigate the influence of the excitation direction on the vibration control performance, shaking tests were conducted at 15-degree intervals. These experiments confirmed that an average vibration reduction of more than 15% was achieved, thereby verifying the validity and practicality of the proposed TMD vibration control system for spherical water tanks. Full article
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25 pages, 6409 KiB  
Article
Dynamic Response Mitigation of Offshore Jacket Platform Using Tuned Mass Damper Under Misaligned Typhoon and Typhoon Wave
by Kaien Jiang, Guangyi Zhu, Guoer Lv, Huafeng Yu, Lizhong Wang, Mingfeng Huang and Lilin Wang
Appl. Sci. 2025, 15(13), 7321; https://doi.org/10.3390/app15137321 - 29 Jun 2025
Viewed by 332
Abstract
This study addresses the dynamic response control of deep-water jacket offshore platforms under typhoon and misaligned wave loads by proposing a Tuned Mass Damper (TMD)-based vibration suppression strategy. Typhoon loading is predicted using the Weather Research and Forecasting (WRF) model to simulate maximum [...] Read more.
This study addresses the dynamic response control of deep-water jacket offshore platforms under typhoon and misaligned wave loads by proposing a Tuned Mass Damper (TMD)-based vibration suppression strategy. Typhoon loading is predicted using the Weather Research and Forecasting (WRF) model to simulate maximum wind speed and direction, a customized exponential wind profile fitted to WRF results, and a spectral model calibrated with field-measured data. Correspondingly, typhoon wave loading is calculated using stochastic wave theory with the Joint North Sea Wave Project (JONSWAP) spectrum. A rigorous Finite Element Model (FEM) incorporating soil–structure interaction (SSI) and water-pile interaction is implemented in the Opensees platform. The SSI is modeled using nonlinear Beam on Nonlinear Winkler Foundation (BNWF) elements (PySimple1, TzSimple1, QzSimple1). Numerical simulations demonstrate that the TMD effectively mitigates dynamic platform responses under aligned typhoon and wave conditions. Specifically, the maximum deck acceleration in the X-direction is reduced by 26.19% and 31.58% under these aligned loads, with a 17.7% peak attenuation in base shear. For misaligned conditions, the TMD exhibits pronounced control over displacements in both X- and Y-directions, achieving reductions of up to 29.4%. Sensitivity studies indicated that the TMD’s effectiveness is more significantly impacted by stiffness detuning than mass detuning. It should be emphasized that the effectiveness verification of linear TMD is limited to the load levels within the design limits; for the load conditions that trigger extreme structural nonlinearity, its performance remains to be studied. This research provides theoretical and practical references for multi-directional coupled vibration control of deep-water jacket platforms in extreme marine environments. Full article
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9 pages, 2327 KiB  
Article
First-Principles Calculations for the H Adsorption of Monolayer MoTe2 for Hydrogen Evolution Reaction
by Xujing Gao and Jianling Meng
Inorganics 2025, 13(6), 197; https://doi.org/10.3390/inorganics13060197 - 13 Jun 2025
Viewed by 365
Abstract
Hydrogen from water splitting is seen as a promising future energy source. Pt electrochemical catalysts with an ideal hydrogen evolution reaction (HER) performance face problems relating to their cost and scarcity. Research into transition metal dichalcogenides (TMDs) as alternative catalysts is in demand. [...] Read more.
Hydrogen from water splitting is seen as a promising future energy source. Pt electrochemical catalysts with an ideal hydrogen evolution reaction (HER) performance face problems relating to their cost and scarcity. Research into transition metal dichalcogenides (TMDs) as alternative catalysts is in demand. In our work, H adsorption on monolayer MoTe2 is investigated at different sites and rates. Through structure and charge distribution analysis, it is found that uniform charge distribution facilitates H adsorption. In addition, the enhanced electronic density of states and reduced band gap calculated by the electronic energy band structure are advantageous for H adsorption. And the Mo edge of MoTe2 is sensitive to the H adsorption rate. Finally, the H adsorbed on the sites is stable at 600 K, as shown in molecular dynamics (MD) calculations. Our work provides a further mechanism for H adsorption on MoTe2. Full article
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20 pages, 5841 KiB  
Article
Semi-Active Vibration Control of Water-Conveying Pipeline Based on Magnetorheological Damper
by Sen Pang, Xuesong Zhang, Zihang Jiang, Haixu Yang, Shengming Zhou and Qiang Zhao
Processes 2025, 13(2), 571; https://doi.org/10.3390/pr13020571 - 18 Feb 2025
Cited by 1 | Viewed by 620
Abstract
In order to mitigate the vibration caused by fluid–structure interaction in water-conveying pipelines, a semi-active control method based on a magnetorheological (MR) damper is proposed. First, the partial differential equation governing the pipeline micro-element, which is simply supported at both ends, is formulated. [...] Read more.
In order to mitigate the vibration caused by fluid–structure interaction in water-conveying pipelines, a semi-active control method based on a magnetorheological (MR) damper is proposed. First, the partial differential equation governing the pipeline micro-element, which is simply supported at both ends, is formulated. This equation is then transformed into state-space expressions through non-dimensionalization and the Galerkin method. Based on passive dissipative control theory, a semi-active control law ensuring Lyapunov global asymptotic stability is derived based on the relative motion between the dynamic vibration-absorbing mass and the pipeline. Next, an on–off control algorithm is designed for the MR damper. The results of simulation and hardware-in-loop experiments demonstrate that the semi-active control law can significantly reduce the vibration of the pipeline system. The contribution of this research is to propose a new MR tuned mass damper (MR-TMD) to suppress vibration in water-conveying pipelines. The proposed MR-TMD scheme and its control method provide a theoretical basis and practical reference for the engineering application of semi-active vibration control in water-conveying pipelines. Full article
(This article belongs to the Special Issue Advances in the Control of Complex Dynamic Systems)
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50 pages, 9829 KiB  
Review
Substrate Engineering of Single Atom Catalysts Enabled Next-Generation Electrocatalysis to Power a More Sustainable Future
by Saira Ajmal, Junfeng Huang, Jianwen Guo, Mohammad Tabish, Muhammad Asim Mushtaq, Mohammed Mujahid Alam and Ghulam Yasin
Catalysts 2025, 15(2), 137; https://doi.org/10.3390/catal15020137 - 1 Feb 2025
Cited by 1 | Viewed by 2092
Abstract
Single-atom catalysts (SACs) are presently recognized as cutting-edge heterogeneous catalysts for electrochemical applications because of their nearly 100% utilization of active metal atoms and having well-defined active sites. In this regard, SACs are considered renowned electrocatalysts for electrocatalytic O2 reduction reaction (ORR), [...] Read more.
Single-atom catalysts (SACs) are presently recognized as cutting-edge heterogeneous catalysts for electrochemical applications because of their nearly 100% utilization of active metal atoms and having well-defined active sites. In this regard, SACs are considered renowned electrocatalysts for electrocatalytic O2 reduction reaction (ORR), O2 evolution reaction (OER), H2 evolution reaction (HER), water splitting, CO2 reduction reaction (CO2RR), N2 reduction reaction (NRR), and NO3 reduction reaction (NO3RR). Extensive research has been carried out to strategically design and produce affordable, efficient, and durable SACs for electrocatalysis. Meanwhile, persistent efforts have been conducted to acquire insights into the structural and electronic properties of SACs when stabilized on an adequate matrix for electrocatalytic reactions. We present a thorough and evaluative review that begins with a comprehensive analysis of the various substrates, such as carbon substrate, metal oxide substrate, alloy-based substrate, transition metal dichalcogenides (TMD)-based substrate, MXenes substrate, and MOF substrate, along with their metal-support interaction (MSI), stabilization, and coordination environment (CE), highlighting the notable contribution of support, which influences their electrocatalytic performance. We discuss a variety of synthetic methods, including bottom-up strategies like impregnation, pyrolysis, ion exchange, atomic layer deposition (ALD), and electrochemical deposition, as well as top-down strategies like host-guest, atom trapping, ball milling, chemical vapor deposition (CVD), and abrasion. We also discuss how diverse regulatory strategies, including morphology and vacancy engineering, heteroatom doping, facet engineering, and crystallinity management, affect various electrocatalytic reactions in these supports. Lastly, the pivotal obstacles and opportunities in using SACs for electrocatalytic processes, along with fundamental principles for developing fascinating SACs with outstanding reactivity, selectivity, and stability, have been highlighted. Full article
(This article belongs to the Special Issue Feature Review Papers in Electrocatalysis)
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18 pages, 8355 KiB  
Article
Ketoprofen Associated with Hyaluronic Acid Hydrogel for Temporomandibular Disorder Treatment: An In Vitro Study
by Diego Garcia Miranda, Lucas de Paula Ramos, Nicole Fernanda dos Santos Lopes, Nicole Van Der Heijde Fernandes Silva, Cristina Pacheco Soares, Flavia Pires Rodrigues, Vinicius de Paula Morais, Thalita Sani-Taiariol, Mauricio Ribeiro Baldan, Luana Marotta Reis de Vasconcellos, Alexandre Luiz Souto Borges, Brigitte Grosgogeat and Kerstin Gritsch
Gels 2024, 10(12), 811; https://doi.org/10.3390/gels10120811 - 10 Dec 2024
Cited by 2 | Viewed by 1179
Abstract
Temporomandibular disorders (TMD) are a public health problem that affects around 12% of the global population. The treatment is based on analgesics, non-steroidal anti-inflammatory, corticosteroids, anticonvulsants, or arthrocentesis associated with hyaluronic acid-based viscosupplementation. However, the use of hyaluronic acid alone in viscosupplementation does [...] Read more.
Temporomandibular disorders (TMD) are a public health problem that affects around 12% of the global population. The treatment is based on analgesics, non-steroidal anti-inflammatory, corticosteroids, anticonvulsants, or arthrocentesis associated with hyaluronic acid-based viscosupplementation. However, the use of hyaluronic acid alone in viscosupplementation does not seem to be enough to regulate the intra-articular inflammatory process. So, we propose to develop and evaluate the physicochemical and biological properties in vitro of hyaluronic acid hydrogels (HA) associated with ketoprofen (KET) as a new therapeutic treatment for TMD. The hydrogels were synthesized with 3% HA and 0.125, 0.250, 0.500, or 1% KET. Physicochemical analyses of Attenuated Total reflectance-Fourier transform infrared spectroscopy (FTIR), Thermogravimetry (TGA), Rheology by Frequency, Amplitude sweeps, temperature ramp, and scanning electron microscopy (SEM) were performed with or without sterilization and cycled. Cytocompatibility and genotoxicity (micronucleus assay) were performed in mouse macrophages (RAW 264-7) for 24 h. Results: FTIR spectrum showed characteristic absorptions of HA and KET. In the TGA, two mass loss peaks were observed, the first representing the water evaporation at 30 and 100 °C, and the second peaks between 200 and 300 °C, indicating the degradation of HA and KET. Rheology tests in the oscillatory regime classified the hydrogels as non-Newtonian fluids, time-dependent, and thixotropic. Mouse macrophages (RAW 264-7) presented viability of 83.6% for HA, 50.7% for KET, and 92.4%, 66.1%, 65.3%, and 87.7% for hydrogels, in addition to the absence of genotoxicity. Conclusions: Hyaluronic acid associated with ketoprofen shows satisfactory physicochemical and biological properties for use as viscosupplementation. As a limiting point of this study, further research is needed to evaluate the pharmacodynamic, toxicological, and pharmacokinetic characteristics of a complete organism Full article
(This article belongs to the Special Issue Hydrogel-Based Scaffolds with a Focus on Medical Use (2nd Edition))
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14 pages, 924 KiB  
Article
Wear Behavior and Water Sorption of Additively Manufactured Resin-Based Splint Materials
by Johann Wulff, Cordula Leonie Merle, Sebastian Hahnel and Martin Rosentritt
Materials 2024, 17(23), 5880; https://doi.org/10.3390/ma17235880 - 30 Nov 2024
Cited by 2 | Viewed by 882
Abstract
3D printing as an additive manufacturing method has proven to be of great interest for the computerized production of oral splints. Various parameters must be taken into consideration when assessing the durability of oral splints in a wet environment, such as the mouth. [...] Read more.
3D printing as an additive manufacturing method has proven to be of great interest for the computerized production of oral splints. Various parameters must be taken into consideration when assessing the durability of oral splints in a wet environment, such as the mouth. The aim of this in vitro study was to assess the wear behavior and water sorption of two 3D-printed splint materials depending on their building orientation and post-processing parameters. The parameters considered included the type of post-polymerization and the type of cleaning utilized after printing. The average wear depth was between −421.8 μm and −667.5 μm. A significant influence of the building orientation (p < 0.001) but not of the material (p = 0.810), cleaning (p = 0.933), or post-polymerization (p = 0.237) on wear was demonstrated. The water sorption ranged between 13.8 μg/mm3 and 30.3 μg/mm3, featuring a significant dependency on material and building orientation but not on cleaning (p = 0.826) or post-polymerization (p = 0.343). Material and fabrication methods should be carefully selected, because the type of material and building orientation affect the wear and water sorption of additively manufactured splint materials. Full article
(This article belongs to the Special Issue Orthodontic Materials: Properties and Effectiveness of Use)
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37 pages, 4860 KiB  
Review
Transition Metal Dichalcogenides in Electrocatalytic Water Splitting
by Jiebo Zeng, Yundan Liu, Zongyu Huang, Hui Qiao and Xiang Qi
Catalysts 2024, 14(10), 689; https://doi.org/10.3390/catal14100689 - 3 Oct 2024
Cited by 7 | Viewed by 4173
Abstract
Two-dimensional transition metal dichalcogenides (TMDs), also known as MX2, have attracted considerable attention due to their structure analogous to graphene and unique properties. With superior electronic characteristics, tunable bandgaps, and an ultra-thin two-dimensional structure, they are positioned as significant contenders in [...] Read more.
Two-dimensional transition metal dichalcogenides (TMDs), also known as MX2, have attracted considerable attention due to their structure analogous to graphene and unique properties. With superior electronic characteristics, tunable bandgaps, and an ultra-thin two-dimensional structure, they are positioned as significant contenders in advancing electrocatalytic technologies. This article provides a comprehensive review of the research progress of two-dimensional TMDs in the field of electrocatalytic water splitting. Based on their fundamental properties and the principles of electrocatalysis, strategies to enhance their electrocatalytic performance through layer control, doping, and interface engineering are discussed in detail. Specifically, this review delves into the basic structure, properties, reaction mechanisms, and measures to improve the catalytic performance of TMDs in electrocatalytic water splitting, including the creation of more active sites, doping, phase engineering, and the construction of heterojunctions. Research in these areas can provide a deeper understanding and guidance for the application of TMDs in the field of electrocatalytic water splitting, thereby promoting the development of related technologies and contributing to the solution of energy and environmental problems. TMDs hold great potential in electrocatalytic water splitting, and future research needs to further explore their catalytic mechanisms, develop new TMD materials, and optimize the performance of catalysts to achieve more efficient and sustainable energy conversion. Additionally, it is crucial to investigate the stability and durability of TMD catalysts during long-term reactions and to develop strategies to improve their longevity. Interdisciplinary cooperation will also bring new opportunities for TMD research, integrating the advantages of different fields to achieve the transition from basic research to practical application. Full article
(This article belongs to the Section Electrocatalysis)
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19 pages, 8419 KiB  
Article
Potential Role of Low-Molecular-Weight Dioxolanes as Adjuvants for Glyphosate-Based Herbicides Using Photosystem II as an Early Post-Treatment Determinant
by Ewa Szwajczak, Edyta Sierka and Michał Ludynia
Cells 2023, 12(5), 777; https://doi.org/10.3390/cells12050777 - 28 Feb 2023
Cited by 4 | Viewed by 2002
Abstract
Pesticide use cannot be completely abandoned in modern agriculture. Among agrochemicals, glyphosate is one of the most popular and, at the same time, most divisive herbicide. Since the chemicalization of agriculture is detrimental, various attempts are being made to reduce it. Adjuvants—substances that [...] Read more.
Pesticide use cannot be completely abandoned in modern agriculture. Among agrochemicals, glyphosate is one of the most popular and, at the same time, most divisive herbicide. Since the chemicalization of agriculture is detrimental, various attempts are being made to reduce it. Adjuvants—substances that increase the efficiency of foliar application—can be used to reduce the amount of herbicides used. We propose low-molecular-weight dioxolanes as adjuvants for herbicides. These compounds quickly convert to carbon dioxide and water and do not harm plants. The aim of this study was to evaluate the efficacy of RoundUp® 360 Plus supported by three potential adjuvants: 2,2-dimethyl-1,3-dioxolane (DMD), 2,2,4-trimethyl-1,3-dioxolane (TMD), and (2,2-dimethyl-1,3-dioxan-4-yl)methanol (DDM), on a common weed species Chenopodium album L., under greenhouse conditions. Chlorophyll a fluorescence parameters and analysis of the polyphasic fluorescence (OJIP) curve, which examines changes in the photochemical efficiency of photosystem II, were used to measure plant sensitivity to glyphosate stress and verified the efficacy achieved by tested formulations. The effective dose (ED) values obtained showed that the weed tested was sensitive to reduced doses of glyphosate, with 720 mg/L needed to achieve 100% effectiveness. Compared to the glyphosate assisted with DMD, TMD, and DDM, ED was reduced by 40%, 50%, and 40%, respectively. The application of all dioxolanes at a concentration equal to 1 vol.% significantly enhanced the herbicide’s effect. Our study showed that for C. album there was a correlation between the change in OJIP curve kinetics and the applied dose of glyphosate. By analyzing the discrepancies in the curves, it is possible to show the effect of different herbicide formulations with or without dioxolanes at an early stage of its action, thus minimizing the time for testing new substances as adjuvants. Full article
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16 pages, 3515 KiB  
Article
Quantitative Precipitation Estimation (QPE) Rainfall from Meteorology Radar over Chi Basin
by Nathaporn Areerachakul, Sethakarn Prongnuch, Peeranat Longsomboon and Jaya Kandasamy
Hydrology 2022, 9(10), 178; https://doi.org/10.3390/hydrology9100178 - 11 Oct 2022
Cited by 9 | Viewed by 3162
Abstract
This study of the Quantitative Estimation Precipitation (QEP) of rainfall, detected by two Meteorology Radars over Chi Basin, North-east Thailand, used data from the Thai Meteorological Department (TMD). The rainfall data from 129 rain gauge stations in the Chi Basin area, covering a [...] Read more.
This study of the Quantitative Estimation Precipitation (QEP) of rainfall, detected by two Meteorology Radars over Chi Basin, North-east Thailand, used data from the Thai Meteorological Department (TMD). The rainfall data from 129 rain gauge stations in the Chi Basin area, covering a period of two years, was also used. The study methodology consists of: firstly, deriving the QPE between radar and rainfall based on meteorological observations using the Marshall Palmer Stratiform, the Summer Deep Convection, and Regression Model and calibrating with rain gauge station data; secondly, Bias Correction using statistical method; thirdly, determining spatial variation using three methods, namely Kriging, Inverse Distance Weight (IDW), and the Minimum Curvature Method. The results of the study demonstrated the accuracy of estimating precipitation using meteorological radar. Estimated precipitation compared against an equivalent of 2 years of rain station measurement had a probability of detection (POD) of 0.927, where a value of 1 indicated perfect agreement, demonstrating the effectiveness of the method used to calibrate the radar data. The bias correction method gave high accuracy compared with measured rainfall. Furthermore, of the spatial estimation of rainfall methods, the Kriging methodology showed the best fit between estimation of rainfall distribution and measured rainfall distribution. Therefore, the results of this study showed that the rainfall estimation, using data from a meteorology radar, has good accuracy and can be useful, especially in areas where it is not possible to install and operate rainfall measurement stations, such as in heavily forested areas and/or in steep terrain. Additionally, good accuracy rainfall data derived from radar data can be integrated with other data used for water management and natural disasters for applications to reduce economic losses, as well as losses of life and property. Full article
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42 pages, 16523 KiB  
Review
Recent Progress in WS2-Based Nanomaterials Employed for Photocatalytic Water Treatment
by Aseel Yousef, Zeineb Thiehmed, Rana Abdul Shakoor and Talal Altahtamouni
Catalysts 2022, 12(10), 1138; https://doi.org/10.3390/catal12101138 - 28 Sep 2022
Cited by 12 | Viewed by 3773
Abstract
Water pollution is one of the most serious environmental issues globally due to its harmful consequences on the ecosystem and public health. Various technologies have been developed for water treatment such as photocatalysis, which has recently drawn scientists’ attention. Photocatalytic techniques using semiconductors [...] Read more.
Water pollution is one of the most serious environmental issues globally due to its harmful consequences on the ecosystem and public health. Various technologies have been developed for water treatment such as photocatalysis, which has recently drawn scientists’ attention. Photocatalytic techniques using semiconductors have shown an efficient removal of various water contaminants during water treatment as well as cost effectivity and low energy consumption. Tungsten disulfide (WS2) is among the promising Transition Metal Dichalcogenides (TMDs) photocatalysts, as it has an exceptional nanostructure and special properties including high surface area and high carrier mobility. It is usually synthesized via hydrothermal technique, chemical vapor deposition (CVD), and liquid-phase exfoliation (LPE) to obtain a wide variety of nanostructures such as nanosheets and nanorods. Most common examples of water pollutants that can be removed efficiently by WS2-based nanomaterials through semiconductor photocatalytic techniques are organic contaminants, pharmaceuticals, heavy metals, and infectious microorganisms. This review summarizes the most recent work on employing WS2-based nanomaterials for different photocatalytic water treatment processes. Full article
(This article belongs to the Special Issue 10th Anniversary of Catalysts—Feature Papers in Photocatalysis)
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24 pages, 3078 KiB  
Article
Investigating the Vibration Mitigation Efficiency of Tuned Sloshing Dampers Using a Two-Fluid CFD Approach
by Máté Péntek, Andreas Riedl, Kai-Uwe Bletzinger and Felix Weber
Appl. Sci. 2022, 12(14), 7033; https://doi.org/10.3390/app12147033 - 12 Jul 2022
Cited by 5 | Viewed by 2634
Abstract
The efficiency of a Tuned Sloshing Damper (TSD) when mitigating wind-induced structural vibrations is investigated. We assessed the performance in terms of peak structural displacements and accelerations, compared to that of the Tuned Mass Damper (TMD). One load scenario considers oncoming gusts due [...] Read more.
The efficiency of a Tuned Sloshing Damper (TSD) when mitigating wind-induced structural vibrations is investigated. We assessed the performance in terms of peak structural displacements and accelerations, compared to that of the Tuned Mass Damper (TMD). One load scenario considers oncoming gusts due to natural turbulence, whereas the other assumes predominant vortex shedding at a low turbulence intensity. The known optimum tuning rules for TSDs and TMDs were adopted. We combined numerical models for fluids and structures to simulate the dynamic effects caused by wind loading. A two-fluid Computational Fluid Dynamics (CFD) approach was used for the realistic simulation of the TSD. The interaction between the flow, the structural behavior and the added devices was captured. All of these computational methods and respective models represent the necessary components of a modular and flexible simulation environment. The study demonstrates that this workflow is suited to model the inclusion of TSDs and TMDs, as well as to capture the effect of transient wind at full scale. We specifically used it to quantify the efficiency of added dampers. The process highlights challenges in properly tuning a TSD and its reduced efficiency compared to that of a TMD. Such an outcome is attributed to the water mass and potential added damping only being partially activated. The computational framework promises the ability to improve such designs by enabling numerical optimization for better efficiency. Full article
(This article belongs to the Special Issue Efficient Damping and Isolation Systems for Civil Structures)
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16 pages, 31091 KiB  
Article
Excited States Calculations of MoS2@ZnO and WS2@ZnO Two-Dimensional Nanocomposites for Water-Splitting Applications
by Yin-Pai Lin, Boris Polyakov, Edgars Butanovs, Aleksandr A. Popov, Maksim Sokolov, Dmitry Bocharov and Sergei Piskunov
Energies 2022, 15(1), 150; https://doi.org/10.3390/en15010150 - 27 Dec 2021
Cited by 15 | Viewed by 4196
Abstract
Transition metal dichalcogenide (TMD) MoS2 and WS2 monolayers (MLs) deposited atop of crystalline zinc oxide (ZnO) and graphene-like ZnO (g-ZnO) substrates have been investigated by means of density functional theory (DFT) using PBE and GLLBSC exchange-correlation functionals. In this work, the [...] Read more.
Transition metal dichalcogenide (TMD) MoS2 and WS2 monolayers (MLs) deposited atop of crystalline zinc oxide (ZnO) and graphene-like ZnO (g-ZnO) substrates have been investigated by means of density functional theory (DFT) using PBE and GLLBSC exchange-correlation functionals. In this work, the electronic structure and optical properties of studied hybrid nanomaterials are described in view of the influence of ZnO substrates thickness on the MoS2@ZnO and WS2@ZnO two-dimensional (2D) nanocomposites. The thicker ZnO substrate not only triggers the decrease of the imaginary part of dielectric function relatively to more thinner g-ZnO but also results in the less accumulated charge density in the vicinity of the Mo and W atoms at the conduction band minimum. Based on the results of our calculations, we predict that MoS2 and WS2 monolayers placed at g-ZnO substrate yield essential enhancement of the photoabsorption in the visible region of solar spectra and, thus, can be used as a promising catalyst for photo-driven water splitting applications. Full article
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12 pages, 3831 KiB  
Article
Computational Study of the Curvature-Promoted Anchoring of Transition Metals for Water Splitting
by Weiwei Liu, Youchao Kong, Bo Wang, Xiaoshuang Li, Pengfei Liu, Alain R. Puente Santiago and Tianwei He
Nanomaterials 2021, 11(12), 3173; https://doi.org/10.3390/nano11123173 - 23 Nov 2021
Cited by 8 | Viewed by 2899
Abstract
Generating clean and sustainable hydrogen from water splitting processes represent a practical alternative to solve the energy crisis. Ultrathin two-dimensional materials exhibit attractive properties as catalysts for hydrogen production owing to their large surface-to-volume ratios and effective chemisorption sites. However, the catalytically inactive [...] Read more.
Generating clean and sustainable hydrogen from water splitting processes represent a practical alternative to solve the energy crisis. Ultrathin two-dimensional materials exhibit attractive properties as catalysts for hydrogen production owing to their large surface-to-volume ratios and effective chemisorption sites. However, the catalytically inactive surfaces of the transition metal dichalcogenides (TMD) possess merely small areas of active chemical sites on the edge, thus decreasing their possibilities for practical applications. Here, we propose a new class of out-of-plane deformed TMD (cTMD) monolayer to anchor transition metal atoms for the activation of the inert surface. The calculated adsorption energy of metals (e.g., Pt) on curved MoS2 (cMoS2) can be greatly decreased by 72% via adding external compressions, compared to the basal plane. The enlarged diffusion barrier energy indicates that cMoS2 with an enhanced fixation of metals could be a potential candidate as a single atom catalyst (SAC). We made a well-rounded assessment of the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER), which are two key processes in water splitting. The optimized Gibbs free energy of 0.02 for HER and low overpotential of 0.40 V for OER can be achieved when the proper compression and supported metals are selected. Our computational results provide inspiration and guidance towards the experimental design of TMD-based SACs. Full article
(This article belongs to the Topic Advances and Applications of 2D Materials)
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15 pages, 2321 KiB  
Review
Two-Dimensional Transition Metal Carbides and Nitrides (MXenes) for Water Purification and Antibacterial Applications
by Inamullah Mahar, Fida Hussain Memon, Jae-Wook Lee, Kyung Hwan Kim, Rafique Ahmed, Faheeda Soomro, Faisal Rehman, Ayaz Ali Memon, Khalid Hussain Thebo and Kyung Hyun Choi
Membranes 2021, 11(11), 869; https://doi.org/10.3390/membranes11110869 - 12 Nov 2021
Cited by 62 | Viewed by 6051
Abstract
Two-dimensional (2D) materials such as graphene, graphene oxide (GO), metal carbides and nitrides (MXenes), transition metal dichalcogenides (TMDS), boron nitride (BN), and layered double hydroxide (LDH) metal–organic frameworks (MOFs) have been widely investigated as potential candidates in various separation applications because of their [...] Read more.
Two-dimensional (2D) materials such as graphene, graphene oxide (GO), metal carbides and nitrides (MXenes), transition metal dichalcogenides (TMDS), boron nitride (BN), and layered double hydroxide (LDH) metal–organic frameworks (MOFs) have been widely investigated as potential candidates in various separation applications because of their high mechanical strength, large surface area, ideal chemical and thermal stability, simplicity, ease of functionalization, environmental comparability, and good antibacterial performance. Recently, MXene as a new member of the 2D polymer family has attracted significant attention in water purification, desalination, gas separation, antibacterial, and antifouling applications. Herein, we review the most recent progress in the fabrication, preparation, and modification methods of MXene-based lamellar membranes with the emphasis on applications for water purification and desalination. Moreover, the antibacterial properties of MXene-based membranes show a significant potential for commercial use in water purification. Thus, this review provides a directional guide for future development in this emerging technology. Full article
(This article belongs to the Special Issue Membrane Systems for Biomedical Engineering)
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