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Showing records 1645 to 1669 of 4494. [First] Page: 1 63 64 65 66 67 68 69 70 71 Last
Modeling Nearly Zero Energy Buildings for Sustainable Development in Rural Areas
Reza Khakian, Mehrdad Karimimoshaver, Farshid Aram, Soghra Zoroufchi Benis, Amir Mosavi, Annamaria R. Varkonyi-Koczy
March 27, 2023 (v1)
Subject: Materials
Keywords: building energy estimation, energy consumption, energy models, energy performance, insulation materials, nearly zero-energy buildings (NZEB), net zero, photovoltaic, Renewable and Sustainable Energy, solar energy, window-to-wall ratio (WWR)
The energy performance of buildings and energy-saving measures have been widely investigated in recent years. However, little attention has been paid to buildings located in rural areas. The aim of this study is to assess the energy performance of two-story residential buildings located in the mountainous village of Palangan in Iran and to evaluate the impact of multiple parameters, namely building orientation, window-to-wall ratio (WWR), glazing type, shading devices, and insulation, on its energy performance. To attain a nearly zero energy building design in rural areas, the building is equipped with photovoltaic modules. The proposed building design is then economically evaluated to ensure its viability. The findings indicate that an energy saving of 29% can be achieved compared to conventional buildings, and over 22 MWh of electricity can be produced on an annual basis. The payback period is assessed at 21.7 years. However, energy subsidies are projected to be eliminated in the nea... [more]
Study on the CO Formation Mechanism during Coal Ambient Temperature Oxidation
Shuo Liu, Yuguo Wu, Chunshan Zhou, Jianming Wu, Yulong Zhang
March 27, 2023 (v1)
Subject: Materials
Keywords: ambient temperature, density functional theory, oxidation of coal, reaction mechanism, reaction path, spontaneous combustion
The CO formation rules of coal were analyzed by a self-developed testing device under ambient temperature. The changes of functional groups caused by oxidation were obtained using Fourier-transform infrared spectroscopy (FTIR). The experimental results showed that CO was generated during the ambient temperature oxidation. The highest concentration level of CO could be 389 ppm. The methylene and aldehyde groups on the side chains were involved in the reaction. For the quantum mechanical approach, we employed the density functional theory with the 6−31 G (d, p) basis set. Density functional theory−based computations interpreted the possible reaction sites on a coal molecule by electronic static potential analysis. The rationality of the predicted reactions was also evaluated by transition state analysis and energy analysis. This research theoretically proved that coal could be oxidized to carbon monoxide under ambient temperatures and gave the possible reaction paths.
Erosion Characteristics and the Corresponding Self-Resonating Oscillations of Cavitating Jet on Oblique Surfaces
Boshen Liu, Fei Ma
March 27, 2023 (v1)
Subject: Materials
Keywords: cavitating waterjet, erosion, self-resonating oscillations
The erosion and the corresponding self-resonating oscillations of the cavitating jet were experimentally investigated on the oblique surfaces. To evaluate the intensities of erosion and self-resonating oscillations of the jet, mass loss, surface morphology of the eroded specimens, upstream fluctuating pressure and unsteady cavitation noise were obtained at a series of stand-off distance ratios l d / d t in the cases where the oblique angles are α = 0°, 5°, 15° and 30°. In the low l d / d t range, with the increase of α , the erosion gradually transforms from two isolated circular erosion rings at α = 0° into irregular oval shaped rings at α = 5° and separated horseshoe shaped rings at α = 15°. The self-resonating oscillations and cavitation were weak in this range because the dominating frequency f 0 is away from the design frequency of the organ-pipe nozzle, resulting in the depressed aggressive ability in the low l d... [more]
Solar Photovoltaic Panels with Finned Phase Change Material Heat Sinks
Preeti Singh, Sourav Khanna, Sanjeev Newar, Vashi Sharma, K. Srinivas Reddy, Tapas K. Mallick, Victor Becerra, Jovana Radulovic, David Hutchinson, Rinat Khusainov
March 27, 2023 (v1)
Subject: Materials
Keywords: electricity enhancement, phase change material, photovoltaics, thermal energy storage, thermal management
Phase change material (PCM) based passive cooling of photovoltaics (PV) can be highly productive due to high latent heat capacity. However, the low rate of heat transfer limits its usefulness. Thus, the presented work aims at the improvement in PV cooling by using finned PCM (FPCM) heat sinks. In the present study, PCM heat sink and FPCM heat sinks were investigated numerically for PV cooling and the extracted heat is used for space heating. 4 kWp PV, PV-PCM and PV-FPCM systems were studied under the weather conditions of Southeast of England. It was observed that the PCM heat sinks can drop the peak PV temperature by 13 K, whereas FPCM heat sinks can enhance the PV cooling by 19 K. The PCM heat sinks can increase the PV electrical efficiency from 13% to 14%. Moreover, the daily electricity generation can be boosted by 7% using PCM and 8% by using FPCM heat sinks. In addition, 7 kWh of thermal output was achieved using the FPCM heat sink, and the overall efficiency of system increased... [more]
Abnormality Detection of Cast-Resin Transformers Using the Fuzzy Logic Clustering Decision Tree
Chin-Tan Lee, Shih-Cheng Horng
March 27, 2023 (v1)
Subject: Materials
Keywords: abnormal defects, cast-resin transformers, decision tree, hierarchical clustering, partial discharge, pattern recognition
Failures of cast-resin transformers not only reduce the reliability of power systems, but also have great effects on power quality. Partial discharges (PD) occurring in epoxy resin insulators of high-voltage electrical equipment will result in harmful effects on insulation and can cause power system blackouts. Pattern recognition of PD is a useful tool for improving the reliability of high-voltage electrical equipment. In this work, a fuzzy logic clustering decision tree (FLCDT) is proposed to diagnose the PD concerning the abnormal defects of cast-resin transformers. The FLCDT integrates a hierarchical clustering scheme with the decision tree. The hierarchical clustering scheme uses splitting attributes to divide the data set into suspended clusters according to separation matrices. The hierarchical clustering scheme is regarded as a preprocessing stage for classification using a decision tree. The whole data set is divided by the hierarchical clustering scheme into some suspended clu... [more]
Effect of Nanofluid Thermophysical Properties on the Performance Prediction of Single-Phase Natural Circulation Loops
Nur Çobanoğlu, Ziya Haktan Karadeniz
March 27, 2023 (v1)
Subject: Materials
Keywords: nanofluid, Nu correlation, single phase natural circulation loop, thermal conductivity, viscosity
Specifying nanofluids’ thermophysical properties correctly is crucial for correct interpretation of a system’s thermo-hydraulic performance and faster market-uptake of nanofluids. Although, experimental and theoretical studies have been conducted on nanofluids’ thermophysical properties; their order-of-magnitude change is still a matter of debate. This numerical study aims to reveal the sensitivity of single phase natural circulation loops (SPNCL), which are the passive systems widely used in solar thermal and nuclear applications, to thermophysical property inputs by evaluating the effects of measured and predicted nanofluid thermophysical properties on the SPNCL characteristics and performance for the first time. Performance and characteristics of an SPNCL working with water-based-Al2O3 nanofluid (1−3 vol.%) for heating applications is evaluated for different pipe diameters (3−6 mm). The thermal conductivity effect on SPNCL characteristics is found to be limited. However, viscosity a... [more]
Experimental Study on the Characteristics of Activated Coal Gangue and Coal Gangue-Based Geopolymer
Weiqing Zhang, Chaowei Dong, Peng Huang, Qiang Sun, Meng Li, Jun Chai
March 27, 2023 (v1)
Subject: Materials
Keywords: coal gangue, geopolymer, mechanical activation, mechanical property, microstructure, thermal activation
Coal gangue-based geopolymer (CGGP) is one of the hot spots existing in the recycling of coal gangue resources due to its good comprehensive mechanical properties. However, the coal gangue structure is stable and reactivity is poor, so the coal gangue needs to be activated before utilization. In this paper, the microstructure changes of activated coal gangue by different mechanical and thermal activation methods, as well as the mechanical properties and microstructure changes of the CGGP specimens were studied by experimental investigation. The results indicated that mechanical activation and thermal activation were two effective methods to change the reactivity of coal gangue, which consisted of destroying the stable kaolinite structure and improving the activity of coal gangue. Conversely, part of the amorphous structure in coal gangue was destroyed when the activation temperature reached 900 °C, which was not conducive to the further enhancement of coal gangue activity. For the CGGP... [more]
Bridging Tools to Better Understand Environmental Performances and Raw Materials Supply of Traction Batteries in the Future EU Fleet
Silvia Bobba, Isabella Bianco, Umberto Eynard, Samuel Carrara, Fabrice Mathieux, Gian Andrea Blengini
March 27, 2023 (v1)
Subject: Materials
Keywords: Criticality, forecast, Life Cycle Assessment (LCA), Material Flow Analysis (MFA), supply, traction batteries
Sustainable and smart mobility and associated energy systems are key to decarbonise the EU and develop a clean, resource efficient, circular and carbon-neutral future. To achieve the 2030 and 2050 targets, technological and societal changes are needed. This transition will inevitably change the composition of the future EU fleet, with an increasing share of electric vehicles (xEVs). To assess the potential contribution of lithium-ion traction batteries (LIBs) in decreasing the environmental burdens of EU mobility, several aspects should be included. Even though environmental assessments of batteries along their life-cycle have been already conducted using life-cycle assessment, a single tool does not likely provide a complete overview of such a complex system. Complementary information is provided by material flow analysis and criticality assessment, with emphasis on supply risk. Bridging complementary aspects can better support decision-making, especially when different strategies are... [more]
Nickel Salicylaldoxime-Based Coordination Polymer as a Cathode for Lithium-Ion Batteries
Evgenii V. Beletskii, Daniil A. Lukyanov, Petr S. Vlasov, Andrei N. Yankin, Arslan B. Atangulov, Vladimir V. Sizov, Oleg V. Levin
March 27, 2023 (v1)
Subject: Materials
Keywords: cathode material, lithium-ion, MOP, nickel, NiSalen, supercapacitor
Conjugated coordination polymers attract attention as materials for electrochemical energy storage, mostly as cathode materials for supercapacitors. Faradaic capacity may be introduced to such materials using redox-active building blocks, metals, or ligands. Using this strategy, a novel hybrid cathode material was developed based on a Ni2+ metal-organic polymer. The proposed material, in addition to double-layer capacitance, shows high pseudocapacitance, which arises from the contributions of both the metal center and ligand. A tailoring strategy in the ligand design allows us to minimize the molecular weight of the ligand, which increases its gravimetric energy. According to computational results, the ligand makes the prevailing contribution to the pseudocapacitance of the material. Different approaches to metal−organic polymer (MOP) synthesis were implemented, and the obtained materials were examined by FTIR, Raman spectroscopy, powder XRD, SEM/EDX (energy-dispersive X-ray spectrosco... [more]
Alternative Fuels from Forestry Biomass Residue: Torrefaction Process of Horse Chestnuts, Oak Acorns, and Spruce Cones
Arkadiusz Dyjakon, Tomasz Noszczyk
March 27, 2023 (v1)
Subject: Materials
Keywords: biomass residues, biomass valorization, forestry, thermal treatment, torrefaction, torrefied material properties
The global energy system needs new, environmentally friendly, alternative fuels. Biomass is a good source of energy with global potential. Forestry biomass (especially wood, bark, or trees fruit) can be used in the energy process. However, the direct use of raw biomass in the combustion process (heating or electricity generation) is not recommended due to its unstable and low energetic properties. Raw biomass is characterized by high moisture content, low heating value, and hydrophilic propensities. The initial thermal processing and valorization of biomass improves its properties. One of these processes is torrefaction. In this study, forestry biomass residues such as horse chestnuts, oak acorns, and spruce cones were investigated. The torrefaction process was carried out in temperatures ranging from 200 °C to 320 °C in a non-oxidative atmosphere. The raw and torrefied materials were subjected to a wide range of tests including proximate analysis, fixed carbon content, hydrophobicity,... [more]
Preparation and Properties of Capric−Myristic Acid/Expanded Graphite Composite Phase Change Materials for Latent Heat Thermal Energy Storage
Dongyi Zhou, Jiawei Yuan, Yuhong Zhou, Yicai Liu
March 27, 2023 (v1)
Subject: Materials
Keywords: expanded graphite, fatty acids, phase change materials, thermal energy storage, thermal properties
A novel composite phase change material (CPCM), capric−myristic acid/expanded graphite (CA−MA/EG) CPCM, was prepared by absorbing liquid CA−MA (as the phase change material (PCM)) into EG (as the substrate material) for heat storage in the backfill materials of soil-source heat pump systems. The thermal characteristics and microstructure of the novel CPCM were analyzed using differential scanning calorimetry (DSC) and scanning electronic microscopy (SEM). The thermal conductivities of CA−MA/EG CPCM were surveyed. The thermal stability of the CA−MA/EG was analyzed using thermogravimetric analysis (TGA) and thermal cycle tests. The results showed that the optimal mass content of CA−MA in CPCM was approximately 92.4% and the CA−MA was uniformly distributed in the vesicular structure of EG; the CA−MA/EG CPCM had an appropriate phase change temperature (Tm: 19.78 °C, Tf: 18.85 °C), high latent heat (Hm: 137.3 J/g, Hf: 139.9 J/g), and excellent thermostability and thermal reliability. The th... [more]
Thermal Transport in Nonlinear Unsteady Colloidal Model by Considering the Carbon Nanomaterials Length and Radius
Syed Tauseef Mohyud-Din, Adnan, T. Abdeljawad, Umar Khan, Naveed Ahmed, Ilyas Khan
March 27, 2023 (v1)
Subject: Materials
Keywords: carbon nanotubes, curvature, curved surface, RK scheme, thermal transport, thermophysical characteristics
Thermal transport analysis in colloidal suspension is significant from industrial, engineering, and technological points of view. It has numerous applications comprised in medical sciences, chemical and mechanical engineering, electronics, home appliances, biotechnology, computer chips, detection of cancer cells, microbiology, and chemistry. The carbon nanomaterials have significant thermophysical characteristics that are important for thermal transport. Therefore, the thermal transport in H2O composed by single and multiwalled carbon nanotubes is examined. The length and radius of the nanomaterials is in range of 3 μm ≤ L* ≤ 70 μm and 10 nm ≤ d ≤ 40 nm, respectively. The problem is modelled over a curved stretching geometry by inducing the velocity slip and thermal jump conditions. The coupling of Runge-Kutta (RK) and shooting technique is adopted for the solution. From the analysis it is perceived that the heat transfer at the surface drops for stretching. The heat transfer rate prev... [more]
A Methodology for Measuring the Heat Release Efficiency in Bubbling Fluidised Bed Combustors
Dominik Müller, Thomas Plankenbühler, Jürgen Karl
March 27, 2023 (v1)
Subject: Materials
Keywords: bubbling fluidised bed, combustion, heat release efficiency
Differences in the densities of bed material and—especially biogenic—solid fuels prevent an ideal mixture within bubbling fluidised bed (BFB) combustors. So, the presence of fuel particles is usually observed mainly near the surface of the fluidised bed. During their thermal conversion, this leads to a release of unburnt pyrolysis products to the freeboard of the combustion chamber. Within the further oxidation, these species will not transfer their heat-of-reaction to the inert bed material in the way of a convective heat transfer, but rather increase the gas phase temperature providing probably some additional radiative heat transfer to the dense bed. In this case, the so-called heat release efficiency to the fluidised bed, being the ratio of transferred heat to the fuel input, will be reduced. This paper presents a methodology to quantify this heat release efficiency with lab-scale experiments and the observed effects of common operating parameters like bed temperature, fluidisation... [more]
Analysis of the Anti-Corrosion Performance of Dextrin and Its Graft Copolymer on J55 Steel in Acid Solution
Mingxing Liu, Dayu Xia, Ambrish Singh, Yuanhua Lin
March 27, 2023 (v1)
Subject: Materials
Keywords: adsorption mechanism, caprolactam, dextrin, graft copolymer, inhibiter
This paper studies the corrosion inhibition performance and mechanism of dextrin (Dxt) and its graft copolymer with caprolactam (Dxt-g-CPL) on J55 steel in 1 M HCl solution. Caprolactam is grafted and copolymerized with dextrin by a chemical synthesis method, to obtain a dextrin graft copolymer corrosion inhibitor. The composition of the synthesized graft copolymer was characterized by FTIR to identify whether the grafting was successful. Through weightlessness, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization curve (TAFEL), scanning electrochemical microscope (SECM), scanning electron microscope (SEM), and contact angle experiments, the graft copolymer to J55 steel in 1 M HCl solution and the corrosion inhibition performance were evaluated. Moreover, we discuss its corrosion inhibition mechanism. The dextrin graft copolymer has good corrosion inhibition performance for J55 in 1 M HCl solution. When the concentration of the corrosion inhibitor increases, the c... [more]
Waste Tire Heat Treatment to Prepare Sulfur Self-Doped Char: Operando Insight into Activation Mechanisms Based on the Char Structures Evolution
Qiangqiang Ren, Song Hu, Qingwei Hu, Qing Li, Limo He, Zhiwen Lei, Sheng Su, Yi Wang, Long Jiang, Jun Xiang
March 27, 2023 (v1)
Subject: Materials
Keywords: activation, char, specific capacitance, structure, sulfur, waste tire
Waste tire (WT) can be heat-treated to be high-quality sulfur self-doped char via pyrolysis and K2FeO4-assisted activation processes. This work aimed at further studying the activation mechanisms based on the char structures evolution by operando experimental method. Activation treatment process (from 50 °C to 800 °C and then held for 3 h) was divided into six typical stages (S1−S6) and consisted of carbonization process (S1−S4) and effective activation process (S4−S6). During the carbonization process, the specific capacitance only increased from 0.2 F/g to 12.4 F/g, aromatic ring systems and alkyl-aryl C-C bonds generated, S 2p3/2 (sulphide bridge) was mainly gradually consumed. During the effective activation process, the specific capacitance hugely increased from 12.4 F/g to 112.5 F/g, aromatic ring systems and alkyl-aryl C-C bonds turned to ordered graphitic char. The pores massively generated from S4 to S5, while micropores partly formed to larger and mesopores+macropores fractio... [more]
Influence of Cellulose Characteristics on Pyrolysis Suitability
María E. Eugenio, Mercedes Ruiz-Montoya, Raquel Martín-Sampedro, David Ibarra, Manuel J. Díaz
March 27, 2023 (v1)
Subject: Materials
Keywords: cellulose, crystal size, crystallinity, degree of polymerization, kinetic, pyrolysis, TGA
Cellulose is the most abundant component of biomass and the one that requires the most activation energy (Ea) for pyrolysis. In this study, the dependence of Ea on the intrinsic cellulose characteristics, such as the degree of polymerization (DP), crystallinity, and crystal size, was studied in different cellulose samples, including samples from Eucalyptus globulus, Ulmus minor, Linun usitatissimum, Olea europaea, Robinia pseudoacacia, and Populus alba. Then, to describe the pyrolytic degradation of cellulose, the Ozawa−Flynn−Wall kinetic method was the most appropriate among the isoconversional models studied. An acceptable quadratic relationship of R2 > 0.9 between the Ea values of the different cellulose samples with their corresponding DP, crystallinity index, and crystal size values was found. Therefore, low crystallinity and low-to-medium crystal size values are desired to obtain lower Ea values for cellulose pyrolysis. On the other hand, DP did not present a clear effect on Ea i... [more]
Hierarchical Nanoflowers of Colloidal WS2 and Their Potential Gas Sensing Properties for Room Temperature Detection of Ammonia
Siziwe S. Gqoba, Rafael Rodrigues, Sharon Lerato Mphahlele, Zakhele Ndala, Mildred Airo, Paul Olawale Fadojutimi, Ivo A. Hümmelgen, Ella C. Linganiso, Makwena J. Moloto, Nosipho Moloto
March 27, 2023 (v1)
Subject: Materials
Keywords: ammonia, colloidal synthesis, gas sensing properties, hierarchical, nanoflowers
A one-step colloidal synthesis of hierarchical nanoflowers of WS2 is reported. The nanoflowers were used to fabricate a chemical sensor for the detection of ammonia vapors at room temperature. The gas sensing performance of the WS2 nanoflowers was measured using an in-house custom-made gas chamber. SEM analysis revealed that the nanoflowers were made up of petals and that the nanoflowers self-assembled to form hierarchical structures. Meanwhile, TEM showed the exposed edges of the petals that make up the nanoflower. A band gap of 1.98 eV confirmed a transition from indirect-to-direct band gap as well as a reduction in the number of layers of the WS2 nanoflowers. The formation of WS2 was confirmed by XPS and XRD with traces of the oxide phase, WO3. XPS analysis also confirmed the successful capping of the nanoflowers. The WS2 nanoflowers exhibited a good response and selectivity for ammonia.
Assessing the Dynamic Performance of Thermochemical Storage Materials
Sara Walsh, Jack Reynolds, Bahaa Abbas, Rachel Woods, Justin Searle, Eifion Jewell, Jonathon Elvins
March 24, 2023 (v1)
Subject: Materials
Keywords: dynamic thermal response, hydrated salt, thermal power, thermochemical storage
Thermochemical storage provides a volumetric and cost-efficient means of collecting energy from solar/waste heat in order to utilize it for space heating in another location. Equally important to the storage density, the dynamic thermal response dictates the power available which is critical to meet the varied demands of a practical space heating application. Using a laboratory scale reactor (127 cm3), an experimental study with salt in matrix (SIM) materials found that the reactor power response is primarily governed by the flow rate of moist air through the reactor and that creating salt with a higher salt fraction had minimal impact on the thermal response. The flowrate dictates the power profile of the reactor with an optimum value which balances moisture reactant delivery and reaction rate on the SIM. A mixed particle size produced the highest power (22 W) and peak thermal uplift (32 °C). A narrow particle range reduced the peak power and peak temperature as a result of lower pack... [more]
FEM Applied to Building Physics: Modeling Solar Radiation and Heat Transfer of PCM Enhanced Test Cells
Ana Vaz Sá, Miguel Azenha, A.S. Guimarães, J.M.P.Q. Delgado
March 24, 2023 (v1)
Subject: Materials
Keywords: experimental campaign, finite element method, phase change materials, solar radiation, test cells
In passive solar buildings, energy can be stored using either sensible heat materials or latent heat materials. Phase change materials (PCM) can contribute to temperature control in passive solar buildings when melting occurs near to comfort temperature required for building’s interior spaces. The use of finite element method (FEM) as a numerical methodology for solving the thermal problem associated with heat transfer in current building materials and PCMs make sense, as it is a well-known technique, generalized and dominated, however, still little applied to the domain of building physics. In this work, a solar model was developed and applied in order to simulate numerically the effect of solar radiation incidence on each face of the test cells (with different solar exposures) without neglecting the main objective of the recommended numerical simulation: the study of the action of PCM. During the experimental campaign, two test cells with distinct inner layers were used to evaluate t... [more]
Long-Term Cycling Behavior of Electrospun Separators for Lithium-Ion Batteries: A Comparison with Conventional Separators
Semen V. Makhov, Aleksandr V. Ivanishchev
March 24, 2023 (v1)
Subject: Materials
Keywords: C-Rate, diffusion coefficient of lithium ions (D), electrochemical characteristics, electrospun materials, galvanostatic charge and discharge, glass-fibers (GF), lithium titanate, lithium-ion battery (LIB), polypropylene (PP), polytetrafluoroethylene (PTFE), polyvinylidene fluoride (PVDF), separator
This paper considered the electrochemical behavior of new electrospun separators for lithium-ion batteries on the basis of nano- and microfibers of polyvinylidene fluoride (PVDF) and its polymer composition, with polytetrafluoroethylene (PTFE) having advanced electroconductive properties over conventionally used separators based on polypropylene (PP) and glass-fibers (GF). Such advancement is associated with the low density of electrospun material leading to lower mechanical strengths. However, its use in the electrochemical systems with middle-voltage anode materials where dendrite growth is excluded is very prospective. The performance at the operation of the separators were investigated in the three-electrode-containing laboratory half-cells having Li4Ti5O12 as the electrode under investigation. Galvanostatic charge and discharge tests of cells were conducted under variation of the experimental conditions: the current varied in the range 0.1 C−1 C, and 1C cycling was conducted over... [more]
Machine Learning Prediction of Surface Segregation Energies on Low Index Bimetallic Surfaces
Damilola Ologunagba, Shyam Kattel
March 24, 2023 (v1)
Subject: Materials
Keywords: bimetallic alloys, catalysts, density functional theory, Machine Learning, surface segregation energy
Surface chemical composition of bimetallic catalysts can differ from the bulk composition because of the segregation of the alloy components. Thus, it is very useful to know how the different components are arranged on the surface of catalysts to gain a fundamental understanding of the catalysis occurring on bimetallic surfaces. First-principles density functional theory (DFT) calculations can provide deeper insight into the surface segregation behavior and help understand the surface composition on bimetallic surfaces. However, the DFT calculations are computationally demanding and require large computing platforms. In this regard, statistical/machine learning methods provide a quick and alternative approach to study materials properties. Here, we trained previously reported surface segregation energies on low index surfaces of bimetallic catalysts using various linear and non-linear statistical methods to find a correlation between surface segregation energies and elemental propertie... [more]
Electrical Characterization of MIS Schottky Barrier Diodes Based on Nanostructured Porous Silicon and Silver Nanoparticles with Applications in Solar Cells
Rehab Ramadan, Raúl J. Martín-Palma
March 24, 2023 (v1)
Subject: Materials
Keywords: electrochemical impedance spectroscopy, MIS Schottky barrier diodes, Mott–Schottky theory, nanoporous silicon, silver nanoparticles
The accurate determination of the electrical properties of photovoltaic devices is of utmost importance to predict and optimize their overall optoelectronic performance. For example, the minority carrier lifetime and the carrier diffusion length have a strong relationship with the carrier recombination rate. Additionally, parasitic resistances have an important effect on the fill factor of a solar cell. Within this context, the alternating current (AC) and direct current (DC) electrical characteristics of Si-based metal−insulator−semiconductor (MIS) Schottky barrier diodes with the basic structure Al/Si/TiO2/NiCr were studied, aiming at using them as photovoltaic devices. The basic diode structure was modified by adding nanostructured porous silicon (nanoPS) layers and by infiltrating silver nanoparticles (AgNPs) into the nanoPS layers, leading to Al/Si+nanoPS/TiO2/NiCr and Al/Si+nanoPS+AgNPs/TiO2/NiCr structures, respectively. The AC electrical properties were studied using a combinat... [more]
Effect of Combined Conductive Polymer Binder on the Electrochemical Performance of Electrode Materials for Lithium-Ion Batteries
Svetlana N. Eliseeva, Mikhail A. Kamenskii, Elena G. Tolstopyatova, Veniamin V. Kondratiev
March 24, 2023 (v1)
Subject: Materials
Keywords: carboxymethylcellulose, conductive binder, electrochemical performance, lithium-ion batteries, poly-3,4-ethylenedioxythiophene:polystyrene sulfonate
The electrodes of lithium-ion batteries (LIBs) are multicomponent systems and their electrochemical properties are influenced by each component, therefore the composition of electrodes should be properly balanced. At the beginning of lithium-ion battery research, most attention was paid to the nature, size, and morphology peculiarities of inorganic active components as the main components which determine the functional properties of electrode materials. Over the past decade, considerable attention has been paid to development of new binders, as the binders have shown great effect on the electrochemical performance of electrodes in LIBs. The study of new conductive binders, in particular water-based binders with enhanced electronic and ionic conductivity, has become a trend in the development of new electrode materials, especially the conversion/alloying-type anodes. This mini-review provides a summary on the progress of current research of the effects of binders on the electrochemical... [more]
Investigations of Damage Characteristics in Rock Material Subjected to the Joint Effect of Cyclic Loading and Impact
Yanlong Chen, Haoshuai Wu, Hai Pu, Kai Zhang, Feng Ju, Yu Wu, Jiangfeng Liu
March 24, 2023 (v1)
Subject: Materials
Keywords: cyclic loading-unloading, energy dissipation, impact load, rock damage
Investigation of the damage characteristics of rock material under the combined effect of cyclic load and impact load is extremely crucial for many mining engineering applications. Based on energy dissipation theory, we considered factors such as circulation times, the cyclic stress of a uniaxial cyclic load test, and the impact pressure (strain rate) of a split Hopkinson pressure bar (SHPB) test, studying the damage mechanism of red sandstone under the combined action of a uniaxial cyclic and impact loads. We found that when the load stress is 60%, 70%, and 80% of the uniaxial compressive strength (UCS) of red sandstone, the stress can still promote the development of microcracks and the generation of new cracks in the rock, increasing the inner damage of the rock so that it reduces the rock strength. As the cyclic time increases, the energy dissipation ratio presented a trend of decreasing dramatically and then maintaining basically no change, and the peak strain and the damage varia... [more]
Resource Assessment and Numerical Modeling of CBM Extraction in the Upper Silesian Coal Basin, Poland
Jarosław Chećko, Tomasz Urych, Małgorzata Magdziarczyk, Adam Smoliński
March 24, 2023 (v1)
Subject: Materials
Keywords: coal seams, legal issues, methane resources, numerical simulations
The paper presents the assessment of the resources of methane considered as the main mineral in the most prospective selected areas of the Upper Silesian Coal Basin, Poland in the region of undeveloped deposits. The methane resources were estimated by means of a volumetric method at three depth levels, 1000, 1250, and 1500 m. A part of the Studzienice deposit comprising three coal seams, 333, 336, and 337, located in a methane zone was chosen for the numerical modeling of simulated methane production. The presented static 3D model has been developed using Petrel Schlumberger software. The total resources of methane in the area amount to approximately 446.5 million of Nm3. Numerical simulations of methane production from the selected coal seams with hydraulic fracturing were conducted by means of Schlumberger ECLIPSE reservoir simulator. Based on the simulations, it was concluded that, in the first six months of the simulations, water is produced from the seams, which is connected with... [more]
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