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15 pages, 1877 KB  
Article
Linking Induced Polarisation Signatures to Flotation Response
by Unzile Yenial-Arslan and Elizaveta Forbes
Minerals 2026, 16(5), 480; https://doi.org/10.3390/min16050480 - 1 May 2026
Viewed by 327
Abstract
The induced polarisation (IP) technique is a geophysical method used to measure chargeability and resistivity, providing crucial insights into subsurface geological structures. Traditionally, IP measurements have been instrumental in exploring disseminated sulphide deposits, leveraging the strong polarisation response of metallic particles. It provides [...] Read more.
The induced polarisation (IP) technique is a geophysical method used to measure chargeability and resistivity, providing crucial insights into subsurface geological structures. Traditionally, IP measurements have been instrumental in exploring disseminated sulphide deposits, leveraging the strong polarisation response of metallic particles. It provides valuable insights about rock mineralisation, matrix composition, and formation polarizability by analysing electrical parameters. However, their potential to predict metallurgical performance remains largely unexplored. This study evaluates whether IP parameters—chargeability and resistivity—can serve as geometallurgical indicators for copper sulphide ores. The evaluation integrates IP measurements with mineralogical and flotation data. Artificial pyrite–sand mixtures and five real ore samples from Mount Isa were analysed using the sample core IP tester and mineral liberation analysis, followed by collectorless flotation tests. Statistical analysis demonstrated a strong correlation between resistivity and chalcopyrite recovery (R2 = 0.90, p = 0.99), as well as a moderate correlation between chargeability and chalcopyrite selectivity (R2 = 0.72, p = 0.93). These findings demonstrate that IP captures key textural and electrochemical features governing flotation behaviour, including pyrite abundance, mineral liberation, and galvanic interactions. The results highlight IP as a promising rapid-assessment tool for identifying ore variability and forecasting flotation response, with potential integration into geometallurgical models and mine-to-mill optimisation. Further validation across broader ore domains is recommended to refine the predictive capability of IP-based indicators. Full article
(This article belongs to the Section Mineral Processing and Extractive Metallurgy)
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25 pages, 8531 KB  
Article
Geophysical Parameter Response Characteristics of the Dagele Niobium Deposit in the Eastern Kunlun Region (China)
by Shandong Bao, Ji’en Dong, Bowu Yuan, Shengshun Cai, Yunhong Tan, Mingxing Liang, Yang Ou, Xiaolong Han, Fengfeng Wang, Deshun Li, Yi Yang, Zhao Ma and Yang Li
Minerals 2026, 16(4), 365; https://doi.org/10.3390/min16040365 - 31 Mar 2026
Viewed by 398
Abstract
Niobium is a strategic critical mineral that supports emerging energy and high-end manufacturing. The geophysical parameters of carbonatite-alkaline rock-type niobium deposits constitute essential baseline data for regional geophysical exploration and prospecting target delineation. To clarify the geophysical response characteristics and exploration the significance [...] Read more.
Niobium is a strategic critical mineral that supports emerging energy and high-end manufacturing. The geophysical parameters of carbonatite-alkaline rock-type niobium deposits constitute essential baseline data for regional geophysical exploration and prospecting target delineation. To clarify the geophysical response characteristics and exploration the significance of the Dagele niobium deposit in the Eastern Kunlun Region (western China). This study focuses on drill hole ZK3202. Samples from ore bodies, mineralized zones, and wall rocks of different lithologies were continuously measured. Combined with 1001.8 m of full-hole core digital logging data, statistical methods, including box plots, histograms, multi-parameter cross-plots, and correlation coefficient analysis, were applied to quantitatively investigate the physical property responses of lithologies such as calcite-biotite rock (ore body), calcite-bearing pyroxenite (mineralized zone) and amphibolite in the vertical profile. Lithological identification thresholds were established to divide the drill-hole into lithological and mineralized ore layers. The results show that the ore-bearing lithofacies exhibit a distinctive geophysical signature characterized by high density, strong magnetism, medium-low resistivity, high polarizability, and slightly elevated natural radioactivity, which clearly distinguishes them from surrounding from wall rocks. Based on five key parameters—density, magnetic susceptibility, resistivity, polarizability, and natural gamma—a lithological identification model for amphibolite and mineralized altered rock assemblages was established. This study also summarizes the multi-parameter coupling mechanism of ore-bearing lithofacies, which can effectively delineate favorable niobium-bearing horizons. This work fills a gap in the geophysical property characterization of carbonatite-alkaline complex-type niobium deposits in the Eastern Kunlun region and provides data support and regional reference for integrated gravity-magnetic-electrical-radioactive geophysical exploration, prospecting target delineation, and the exploration of similar niobium deposits in western China. Full article
(This article belongs to the Section Mineral Exploration Methods and Applications)
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14 pages, 4136 KB  
Article
Tuning Surface-Enhanced Raman Scattering (SERS) via Filling Fraction and Period in Gold-Coated Bullseye Gratings
by Ziqi Li, Yaming Cheng, Carlos Fernandes, Xiaolu Wang and Harry E. Ruda
Nanomaterials 2025, 15(24), 1863; https://doi.org/10.3390/nano15241863 - 11 Dec 2025
Cited by 1 | Viewed by 1064
Abstract
Surface-enhanced Raman scattering (SERS) is a highly sensitive analytical technique capable of single-molecule detection, yet its performance strongly depends on the underlying plasmonic architecture. In this study, we developed a robust SERS platform based on long-range–ordered bullseye plasmonic nano-gratings with tunable period and [...] Read more.
Surface-enhanced Raman scattering (SERS) is a highly sensitive analytical technique capable of single-molecule detection, yet its performance strongly depends on the underlying plasmonic architecture. In this study, we developed a robust SERS platform based on long-range–ordered bullseye plasmonic nano-gratings with tunable period and filling fraction, fabricated via electron beam lithography and reactive ion etching and uniformly coated with a thin gold film. These concentric nanostructures support efficient surface plasmon resonance and radial SPP focusing, enabling intense electromagnetic field enhancement across the substrate. Using this platform, we achieved quantitative detection of Rhodamine 6G with enhancement factors of 105. Notably, our results reveal a previously unrecognized mechanistic insight: the geometric configuration producing the strongest local electric fields does not yield the highest SERS enhancement, due to misalignment between the dominant field orientation and the molecular polarizability tensor. This finding explains the non-monotonic dependence of SERS performance on grating geometry and introduces a new design principle in which both field strength and field–molecule alignment must be co-optimized. Overall, this work provides a mechanistic framework for rationally engineering plasmonic substrates for sensitive and quantitative molecular detection. Full article
(This article belongs to the Section Nanophotonics Materials and Devices)
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19 pages, 11997 KB  
Article
Electronic and Optical Properties of 2D-TMD/Janus Heterostructures Under the Influence of an Electric Field: First-Principles Calculations
by Daulet Sergeyev, Ainur Duisenova and Kuanyshbek Shunkeyev
Materials 2025, 18(23), 5378; https://doi.org/10.3390/ma18235378 - 28 Nov 2025
Viewed by 939
Abstract
This work presents the results of a theoretical investigation of the electronic and optical properties of van der Waals Janus nanoheterostructures MoS2/SeMoS and MoSe2/SMoSe, carried out within the framework of density functional theory (DFT) using the generalized gradient approximation [...] Read more.
This work presents the results of a theoretical investigation of the electronic and optical properties of van der Waals Janus nanoheterostructures MoS2/SeMoS and MoSe2/SMoSe, carried out within the framework of density functional theory (DFT) using the generalized gradient approximation (GGA-PBE) together with the Grimme-D3 dispersion correction. The calculated band structures show that both heterostructures possess an indirect bandgap whose magnitude is highly sensitive to an external electric field. In the MoS2–SeMoS system, increasing the applied field leads to a gradual narrowing of the bandgap and a transition to a metallic state at approximately 75 V, whereas in MoSe2–SMoSe, the bandgap first increases (up to 20 V) and then decreases, indicating a nonlinear field-dependent behavior. Analysis of the dielectric function reveals an enhancement of the static dielectric permittivity and a red shift in the absorption spectra with increasing field strength, which can be attributed to charge redistribution and an increased contribution from ionic polarizability. These results demonstrate the possibility of effectively controlling the bandgap width, polarizability, and optical response of Janus nanoheterostructures using an external electric field. This opens up promising prospects for their application in tunable photodetectors, light modulators, valleytronic components, and next-generation optoelectronic systems. Full article
(This article belongs to the Special Issue Ab Initio Modeling of 2D Semiconductors and Semimetals)
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27 pages, 12904 KB  
Article
Petrophysical Characteristics of Geological Formations of the Zhezkazgan Ore District (Kazakhstan) and Their Relationship with Mineralization
by Lyudmila Issayeva, Sara Istekova, Dina Tolybaeva, Kuanysh Togizov, Zhanibek Saurykov and Aygul Issagaliyeva
Minerals 2025, 15(11), 1106; https://doi.org/10.3390/min15111106 - 23 Oct 2025
Viewed by 1419
Abstract
This work presents a generalization and analysis of the physical properties of rocks and ores from the Zhezkazgan ore district. Studies were carried out to identify general patterns in variations in the magnetic, density, velocity, and electrical parameters of the rocks that make [...] Read more.
This work presents a generalization and analysis of the physical properties of rocks and ores from the Zhezkazgan ore district. Studies were carried out to identify general patterns in variations in the magnetic, density, velocity, and electrical parameters of the rocks that make up the geological section of the region. Based on the physical parameter measurements of the rock samples and drill cores collected in large quantities evenly throughout the region, a spatial analysis and quantitative assessment were conducted for the magnetic susceptibility, density, specific electrical resistivity, polarizability, and seismic velocity of the rocks. These properties were systematized at the level of formations, individual suites, and lithological heterogeneities. Correlations between the physical properties of the rocks, their composition, and the conditions of their formation were established. This study demonstrated the potential of using petrophysical characteristics in tectonic studies, geological mapping, and the identification of the exploration and ore-controlling factors in copper mineralization. It was found that the deposits of the productive horizons of the Zhezkazgan and Taskuduk suites are characterized by consistent physical parameters across the entire area, due to their relative homogeneity in lithological, structural–textural, and other features. The physical parameters of the rocks are influenced by several factors associated with mineralization processes, including changes in the total porosity, structure, and texture of the host rocks, alteration of the original mineral composition of the ores, fragmentation, fracturing, fissuring, and others. The obtained results significantly improve the reliability of geologically interpreting geophysical anomalies, especially in areas covered by loose sediments and where productive horizons are deeply buried. The detailed petrophysical analysis of the region has made it possible to provide recommendations for selecting an optimal set of geophysical methods for further successful work at the prospecting-evaluation and exploration stages in the Zhezkazgan ore district. Full article
(This article belongs to the Section Mineral Exploration Methods and Applications)
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20 pages, 285 KB  
Article
The Role of Symmetry Aspects in Considering the Spin-1 Particle with Two Additional Electromagnetic Characteristics in the Presence of Both Magnetic and Electric Fields
by Alina Ivashkevich, Viktor Red’kov, Elena Ovsiyuk and Alexander Chichurin
Symmetry 2025, 17(9), 1465; https://doi.org/10.3390/sym17091465 - 5 Sep 2025
Viewed by 648
Abstract
In this paper, we study a generalized Duffin–Kemmer equation for a spin-1 particle with two characteristics, anomalous magnetic moment and polarizability in the presence of external uniform magnetic and electric fields. After separating the variables, we obtained a system of 10 first-order partial [...] Read more.
In this paper, we study a generalized Duffin–Kemmer equation for a spin-1 particle with two characteristics, anomalous magnetic moment and polarizability in the presence of external uniform magnetic and electric fields. After separating the variables, we obtained a system of 10 first-order partial differential equations for 10 functions fA(r,z). To resolve this complicated problem, we first took into account existing symmetry in the structure of the derived system. The main step consisted of applying a special method for fixing the r-dependence of ten functions fA(r,z),A=1,,10. We used the approach of Fedorov–Gronskiy, according to which the complete 10-component wave function is decomposed into the sum of three projective constituents. The dependence of each component on the polar coordinate r is determined by only one corresponding function, Fi(r),i=1,2,3. These three basic functions are constructed in terms of confluent hypergeometric functions, and in this process a quantization rule arises due to the presence of a magnetic field.In fact, this approach is a step-by-step algebraization of the systems of equations in partial derivatives. After that, we derived a system of 10 ordinary differential equations for 10 functions fA(z). This system was solved using the elimination method and with the help of special linear combinined with the involved functions. As a result, we found three separated second-order differential equations, and their solutions were constructed in the terms of the confluent hypergeometric functions. Thus, in this paper, the three types of solutions for a vector particle with two additional electromagnetic characteristics in the presence of both external uniform magnetic and electric fields. Full article
21 pages, 26631 KB  
Technical Note
Induced Polarization Imaging: A Geophysical Tool for the Identification of Unmarked Graves
by Matthias Steiner and Adrián Flores Orozco
Remote Sens. 2025, 17(15), 2687; https://doi.org/10.3390/rs17152687 - 3 Aug 2025
Cited by 1 | Viewed by 2296
Abstract
The identification of unmarked graves is important in archaeology, forensics, and cemetery management, but invasive methods are often restricted due to ethical or cultural concerns. This necessitates the use of non-invasive geophysical techniques. Our study demonstrates the potential of induced polarization (IP) imaging [...] Read more.
The identification of unmarked graves is important in archaeology, forensics, and cemetery management, but invasive methods are often restricted due to ethical or cultural concerns. This necessitates the use of non-invasive geophysical techniques. Our study demonstrates the potential of induced polarization (IP) imaging as a non-invasive remote sensing technique specifically suited for detecting and characterizing unmarked graves. IP leverages changes in the electrical properties of soil and pore water, influenced by the accumulation of organic matter from decomposition processes. Measurements were conducted at an inactive cemetery using non-invasive textile electrodes to map a documented grave from the early 1990s, with a survey design optimized for high spatial resolution. The results reveal a distinct polarizable anomaly at a 0.75–1.0 m depth with phase shifts exceeding 12 mrad, attributed to organic carbon from wooden burial boxes, and a plume-shaped conductive anomaly indicating the migration of dissolved organic matter. While electrical conductivity alone yielded diffuse grave boundaries, the polarization response sharply delineated the grave, aligning with photographic documentation. These findings underscore the value of IP imaging as a non-invasive, data-driven approach for the accurate localization and characterization of graves. The methodology presented here offers a promising new tool for archaeological prospection and forensic search operations, expanding the geophysical toolkit available for remote sensing in culturally and legally sensitive contexts. Full article
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22 pages, 5215 KB  
Article
Analysis and Modeling of Elastic and Electrical Response Characteristics of Tight Sandstone in the Kuqa Foreland Basin of the Tarim Basin
by Juanli Cui, Kui Xiang, Xiaolong Tong, Yanling Shi, Zuzhi Hu and Liangjun Yan
Minerals 2025, 15(7), 764; https://doi.org/10.3390/min15070764 - 21 Jul 2025
Cited by 2 | Viewed by 871
Abstract
This study addresses the limitations of conventional evaluation methods caused by low porosity, strong heterogeneity, and complex pore structures in tight sandstone reservoirs. Through integrated rock physics experiments and multi-physical field modeling, the research systematically investigates the coupled response mechanisms between electrical and [...] Read more.
This study addresses the limitations of conventional evaluation methods caused by low porosity, strong heterogeneity, and complex pore structures in tight sandstone reservoirs. Through integrated rock physics experiments and multi-physical field modeling, the research systematically investigates the coupled response mechanisms between electrical and elastic parameters. The experimental approach includes pore structure characterization, quantitative mineral composition analysis, resistivity and polarizability measurements under various saturation conditions, P- and S-wave velocity testing, and scanning electron microscopy (SEM) imaging. The key findings show that increasing porosity leads to significant reductions in resistivity and elastic wave velocities, while also increasing surface conductivity. Specifically, clay minerals enhance surface conductivity through interfacial polarization effects and decrease rock stiffness, which exacerbates wave velocity attenuation. Furthermore, resistivity exhibits a nonlinear negative correlation with water saturation, with sharp increases at low saturation levels due to the disruption of conductive pathways. By integrating the Modified Generalized Effective Medium Theory of Induced Polarization (MGEMTIP) and Kuster–Toksöz models, this study establishes quantitative relationships between porosity, saturation, and electrical/elastic parameters, and constructs cross-plot templates that correlate elastic wave velocities with resistivity and surface conductivity. These analyses reveal that high-porosity, high-saturation zones are characterized by lower resistivity and wave velocities, coupled with significantly higher surface conductivity. The proposed methodology significantly improves the accuracy of reservoir evaluation and enhances fluid identification capabilities, providing a solid theoretical foundation for the efficient exploration and development of tight sandstone reservoirs. Full article
(This article belongs to the Special Issue Electromagnetic Inversion for Deep Ore Explorations)
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16 pages, 5790 KB  
Article
Understanding the Adsorption Mechanism of Phenol and Para-Chlorophenol onto Sepiolite Clay: A Combined DFT Calculations, Molecular Dynamics Simulations, and Isotherm Analysis
by Abdelhak Khachay, Radia Yous, Razika Khalladi, Hakima Cherifi, Bouthaina Belaid, Maymounah N. Alharthi, Stefano Salvestrini and Lotfi Mouni
Water 2025, 17(9), 1335; https://doi.org/10.3390/w17091335 - 29 Apr 2025
Cited by 8 | Viewed by 3179
Abstract
This study integrates molecular dynamics (MD) simulations and density functional theory (DFT) computations to elucidate the unique adsorption characteristics of phenol and para-chlorophenol onto sepiolite by examining structural deformation, electronic properties, and adsorption energetics. The hydroxyl group (-OH) of phenol mainly determines its [...] Read more.
This study integrates molecular dynamics (MD) simulations and density functional theory (DFT) computations to elucidate the unique adsorption characteristics of phenol and para-chlorophenol onto sepiolite by examining structural deformation, electronic properties, and adsorption energetics. The hydroxyl group (-OH) of phenol mainly determines its adsorption process since it has a quite negative Mulliken charge (−0.428) and significant electrophilic reactivity (fi+ = 0.090), therefore enabling strong hydrogen bonding with the silanol (-SiOH) groups of sepiolite. By π-π interactions with the electron-rich siloxane (-Si-O-Si-) surfaces, the aromatic carbons in phenol improve stability. The close molecular structure allows minimum deformation energy (Edef = 94.18 kcal/mol), hence optimizing alignment with the sepiolite surface. The much negative adsorption energy (Eads = −349.26 kcal/mol) of phenol supports its further thermodynamic stability. Conversely, because of its copious chlorine (-Cl) component, para-chlorophenol runs against steric and electrical obstacles. The virtually neutral Mulliken charge (−0.020) limits electrostatic interactions even if the chlorine atom shows great electrophilicity (fi+ = 0.278). Chlorine’s electron-withdrawing action lowers the hydroxyl group’s (fi+ = 0.077) reactivity, hence lowering hydrogen bonding. Moreover, para-chlorophenol shows strong deformation energy (Edef = 102.33 kcal/mol), which causes poor alignment and less access to high-affinity sites. With less negative than phenol, the adsorption energy for para-chlorophenol (Eads = −317.53 kcal/mol) indicates its reduced thermodynamic affinity. Although more evident in para-chlorophenol because of the polarizable chlorine atom, van der Waals interactions do not balance its steric hindrance and reduced electrostatic interactions. With a maximum Qmax = 0.78 mmol/g, isotherm models confirm the remarkable adsorption capability of phenol in contrast to Qmax = 0.66 mmol/g for para-chlorophenol. By hydrogen bonding and π-cation interactions, phenol builds a dense and structured adsorption layer, and para-chlorophenol shows a chaotic organization with reduced site use. Supported by computational approaches and experimental validation, the results provide a comprehensive knowledge of adsorption mechanisms and provide a basis for the design of adsorbents catered for particular organic pollutants. Full article
(This article belongs to the Section Wastewater Treatment and Reuse)
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21 pages, 419 KB  
Article
The Impact of Electric Currents on Majorana Dark Matter at Freeze Out
by Lukas Karoly and David C. Latimer
Universe 2025, 11(2), 66; https://doi.org/10.3390/universe11020066 - 14 Feb 2025
Viewed by 1235
Abstract
Thermal relics with masses in the GeV to TeV range remain possible candidates for the Universe’s dark matter (DM). These neutral particles are often assumed to have vanishing electric and magnetic dipole moments so that they do not interact with single real photons, [...] Read more.
Thermal relics with masses in the GeV to TeV range remain possible candidates for the Universe’s dark matter (DM). These neutral particles are often assumed to have vanishing electric and magnetic dipole moments so that they do not interact with single real photons, but the anapole moment, a static electromagnetic property whose features are akin to that of a classical toroidal solenoid, can still be non-zero, permitting interactions with single virtual photons. In some models, DM predominantly annihilates into charged standard model particles through a p-wave process mediated by the anapole moment. The anapole moment is also responsible for another interaction of interest. If a DM medium were subjected to an electric current, a DM particle whose anapole moment was aligned with the current would have lower energy than the state with an antialigned anapole moment. Given these interactions, if a collection of initially unpolarized DM particles were subjected to an electric current, then the DM medium would become partially polarized, according to the Boltzmann distribution. In such a polarized medium, DM annihilation into photons, a subdominant s-wave process realizable through higher order interactions, would be somewhat suppressed. If the local electric current existed during a time in which the DM begins to drop out of thermal equilibrium with the rest of the Universe, the suppressed annihilation could lead to a small local excess in the relic DM density relative to a current-free region. This mechanism by which the local DM density can be perturbed is novel. Using effective interactions to model a DM particle’s anapole moment and polarizabilities (responsible for s-wave annihilation into two photons), we compute the changes in the DM density produced by long- and short-lived currents around freeze out. If we employ the most stringent constraints on DM annihilation into two photons, we find that long-lived currents can result in a fractional change in the DM density on the order of 1017 for DM masses around 100 GeV; for short-lived currents, this fractional change in local DM density is on the order of 1023 for the same DM mass. Full article
(This article belongs to the Section High Energy Nuclear and Particle Physics)
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24 pages, 5109 KB  
Article
Critical Role of Rubber Functionalities on the Mechanical and Electrical Responses of Carbon Nanotube-Based Electroactive Rubber Composites
by Md Najib Alam, Siraj Azam, Jongwan Yun and Sang-Shin Park
Polymers 2025, 17(2), 127; https://doi.org/10.3390/polym17020127 - 7 Jan 2025
Cited by 13 | Viewed by 2466
Abstract
Carbon nanomaterials, particularly carbon nanotubes (CNTs), are widely used as reinforcing fillers in rubber composites for advanced mechanical and electrical applications. However, the influence of rubber functionality and its interactions with CNTs remains underexplored. This study investigates electroactive elastomeric composites fabricated with CNTs [...] Read more.
Carbon nanomaterials, particularly carbon nanotubes (CNTs), are widely used as reinforcing fillers in rubber composites for advanced mechanical and electrical applications. However, the influence of rubber functionality and its interactions with CNTs remains underexplored. This study investigates electroactive elastomeric composites fabricated with CNTs in two common diene rubbers: natural rubber (NR) and acrylonitrile-butadiene rubber (NBR), each with distinct functionalities. For NR-based composites containing 2 vol% CNTs, mechanical properties, such as elastic modulus (2.24 MPa), tensile strength (12.48 MPa), and fracture toughness (26.92 MJ/m3), show significant improvements of 125%, 215%, and 164%, respectively, compared to unfilled rubber. Similarly, for NBR-based composites, the elastic modulus (5.46 MPa), tensile strength (13.47 MPa), and fracture toughness (82.89 MJ/m3) increase by 94%, 22%, and 65%, respectively, over the unfilled system. Although NBR-based composites exhibit higher mechanical properties, NR systems show more significant improvements, suggesting stronger chemical bonding between NR chains and CNTs, as evidenced by dynamic mechanical, X-ray diffraction, thermogravimetric, and thermodynamic analyses. The NBR-based composite at 1 vol% CNT content exhibits 261% higher piezoresistive strain sensitivity (GF = 65 at 0% ≤ Δε ≤ 200%) compared to the NR-based composite (GF = 18 at 0% ≤ Δε ≤ 200%). The highest gauge factor of 39,125 (1000% ≤ Δε ≤ 1220) was achieved in NBR-based composites with 1 vol% CNT content. However, 1.5 vol% CNT content in NBR provides better strain sensitivity and linearity than other composites. Additionally, NBR demonstrates superior electromechanical actuation properties, with 1317% higher actuation displacement and 276% higher electromechanical pressure compared to NR at an applied electric field of 12 kV. Due to the stronger chemical bonding between the rubber and CNT, NR-based composites are more suitable for dynamic mechanical applications. In contrast, NBR-based CNT composites are ideal for stretchable electromechanical sensors and actuators, owing to the high dielectric constant and polarizable functional groups in NBR. Full article
(This article belongs to the Special Issue Advances in Functional Rubber and Elastomer Composites II)
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17 pages, 5301 KB  
Article
Combined Dielectric-Optical Characterization of Single Cells Using Dielectrophoresis-Imaging Flow Cytometry
by Behnam Arzhang, Justyna Lee, Emerich Kovacs, Michael Butler, Elham Salimi, Douglas J. Thomson and Greg E. Bridges
Biosensors 2024, 14(12), 577; https://doi.org/10.3390/bios14120577 - 27 Nov 2024
Cited by 9 | Viewed by 2904
Abstract
In this paper, we present a microfluidic flow cytometer for simultaneous imaging and dielectric characterization of individual biological cells within a flow. Utilizing a combination of dielectrophoresis (DEP) and high-speed imaging, this system offers a dual-modality approach to analyze both cell morphology and [...] Read more.
In this paper, we present a microfluidic flow cytometer for simultaneous imaging and dielectric characterization of individual biological cells within a flow. Utilizing a combination of dielectrophoresis (DEP) and high-speed imaging, this system offers a dual-modality approach to analyze both cell morphology and dielectric properties, enhancing the ability to analyze, characterize, and discriminate cells in a heterogeneous population. A high-speed camera is used to capture images of and track multiple cells in real-time as they flow through a microfluidic channel. A wide channel is used, enabling analysis of many cells in parallel. A coplanar electrode array perpendicular to cell flow is incorporated at the bottom of the channel to perform dielectrophoresis-based dielectric characterization. A frequency-dependent voltage applied to the array produces a non-uniform electric field, translating cells to higher or lower velocity depending on their dielectric polarizability. In this paper, we demonstrate how cell size, obtained by optical imaging, and DEP response, obtained by particle tracking, can be used to discriminate viable and non-viable Chinese hamster ovary cells in a heterogeneous cell culture. Multiphysics electrostatic-fluid dynamics simulation is used to develop a relationship between cell incoming velocity, differential velocity, size, and the cell’s polarizability, which can subsequently be used to evaluate its physiological state. Measurement of a mixture of polystyrene microspheres is used to evaluate the accuracy of the cytometer. Full article
(This article belongs to the Special Issue Biosensing Applications for Cell Monitoring)
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15 pages, 3616 KB  
Article
Polarizing Magnetic Field Effect on Some Electrical Properties of a Ferrofluid in Microwave Field
by Catalin N. Marin, Paul C. Fannin and Iosif Malaescu
Magnetochemistry 2024, 10(11), 88; https://doi.org/10.3390/magnetochemistry10110088 - 9 Nov 2024
Cited by 4 | Viewed by 2030
Abstract
The complex dielectric permittivity, ε (f, H) = ε′ (f, H) − i ε″ (f, H), in the microwave frequency range f, of (0.1–3) GHz and polarizing field values H, [...] Read more.
The complex dielectric permittivity, ε (f, H) = ε′ (f, H) − i ε″ (f, H), in the microwave frequency range f, of (0.1–3) GHz and polarizing field values H, in the range of (0–135) kA/m, was measured for a kerosene-based ferrofluid with magnetite particles. A relaxation process attributed to interfacial type relaxation was highlighted, determining for the first time in the microwave field, the activation energy of the dielectric relaxation process in the presence of the magnetic field, EA(H), in relation to the activation energy in zero field, EA(H = 0). Based on the complex permittivity measurements and the Claussius–Mossotti equation, the dependencies on frequency (f), and magnetic field (H), of the polarizability (α) and electrical conductivity (σ), were determined. From the dependence of α(f,H), the electric dipolar moment, p, of the particles in the ferrofluid, was determined. The conductivity spectrum, σ(f,H), was found to be in agreement with Jonscher’s universal law and the electrical conduction mechanism in the ferrofluid was explained using both Mott’s VRH (variable range hopping) model and CBH (correlated barrier hopping) model. Based on these models and conductivity measurements, the hopping distance, Rh, of the charge carriers and the maximum barrier height, Wm, for the investigated ferrofluid was determined for the first time in the microwave field. Knowledge of these electrical properties of the ferrofluid in the microwave field is useful for explaining the mechanisms of polarization and control of electrical conductivity with an external magnetic field, in order to use ferrofluids in various technological applications in microwave field. Full article
(This article belongs to the Special Issue Ferrofluids - Electromagnetic Properties and Applications)
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10 pages, 1029 KB  
Article
Theoretical Investigation of Electric Polarizability in Porphyrin–Zinc and Porphyrin–Zinc–Thiazole Complexes Using Small Property-Oriented Basis Sets
by Arkadiusz Kuziemski, Krzysztof Z. Łączkowski and Angelika Baranowska-Łączkowska
Int. J. Mol. Sci. 2024, 25(20), 11044; https://doi.org/10.3390/ijms252011044 - 14 Oct 2024
Cited by 3 | Viewed by 1638
Abstract
Porphyrin complexes are of great importance due to their possible applications as sensors, solar cells and photocatalysts, as well as their ability to bind additional ligands. A valuable source of knowledge on their nature is their electric properties, which can be evaluated employing [...] Read more.
Porphyrin complexes are of great importance due to their possible applications as sensors, solar cells and photocatalysts, as well as their ability to bind additional ligands. A valuable source of knowledge on their nature is their electric properties, which can be evaluated employing density functional theory (DFT) methods, supporting the experimental research. The present work aims at the application of small property-oriented basis sets in calculation of electric properties in transition metals, their oxides and test coordination complexes. Firstly, the existing polarized ZPol basis set for the first-row transition metals is modified in order to improve atomic polarizability results. For this purpose, optimization of the f-type polarization function exponent is carried out with respect to the value of average atomic polarizability of investigated metals. Next, both the original and the modified basis sets are employed in finite field CCSD(T) calculation of transition metal oxides’ dipole moments, as well as DFT calculation of polarizabilities in porphyrin–zinc and porphyrin–zinc–thiazole complexes. The obtained results show that the ZPol and ZPol-A basis sets can be successfully employed in the calculation of linear electric properties in large systems. The optimization procedure used in the present work can be employed for other source basis sets and elements, leading to new efficient polarized basis sets. Full article
(This article belongs to the Special Issue Molecular Modeling: Latest Advances and Applications)
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12 pages, 2261 KB  
Article
Molecular Simulation Analysis of Polyurethane Molecular Structure under External Electric Field
by Zhiyi Pang, Shangshi Huang, Yi Li, Yiyi Zhang and Rui Qin
Molecules 2024, 29(18), 4329; https://doi.org/10.3390/molecules29184329 - 12 Sep 2024
Cited by 4 | Viewed by 1988
Abstract
Polyurethane (PU) materials are extensively utilized in power equipment. This paper introduces a comprehensive evaluation method that combines electromagnetics and computational chemistry based on the Density Functional Theory (DFT) to elucidate the impact of external electric fields on the molecular structure of PU [...] Read more.
Polyurethane (PU) materials are extensively utilized in power equipment. This paper introduces a comprehensive evaluation method that combines electromagnetics and computational chemistry based on the Density Functional Theory (DFT) to elucidate the impact of external electric fields on the molecular structure of PU during electrical contact. The study focuses on the microstructural and molecular energy changes in the hard (HS) and soft (SS) segments of PU under the influence of an electric field of uniform intensity. Findings indicate that the total energy of HS molecules decreases markedly as the electric field intensity increases, accompanied by a significant rise in both the dipole moment and polarizability. Conversely, the total energy and polarizability of the SS molecules decrease, while the dipole moment experiences a slight increase. Under the influence of a strong electric field, HS molecules tend to stretch towards the extremities of the main chain, leading to structural instability and the cleavage of hydroxyl O-H bonds. Meanwhile, the carbon chain of the SS molecules twists towards the center under the electric field, with no chemical bond rupture observed. At an electric field intensity of 8.227 V/nm, the HOMO-LUMO gap of the HS molecule narrows sharply, signifying a rapid decline in the molecular structure stability, corroborated by infrared spectroscopy analysis. These findings offer theoretical insights and guidance for the modification of PU materials in power equipment applications. Full article
(This article belongs to the Topic Advances in Computational Materials Sciences)
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