Nonlinear Increase Research Articles

Fluoride exposure and risk of fractures: a systematic review and dose-response meta-analysis

Abstract Introduction Fluoride (F) is a widespread natural element, whose exposure occurs mostly through drinking water, fluoridated foods and use of toothpastes. At high levels, it may adversely affect human health by altering thyroid and cognitive function in children, and inducing dental and skeletal fluorosis. Since bone health significantly impacts quality of life, we performed a systematic review and meta-analysis to evaluate the effect of F exposure on risk of bone fractures. Methods We conducted a literature search in online databases and selected studies that were carried out in humans and reported risk estimates with 95% confidence intervals for bone fractures according to F exposure. We eventually performed a meta-analysis using a random effects model, comparing the highest versus the lowest exposure, and one-stage dose-response model, to explore the shape of the association. Results Of the 1052 potentially eligible articles, 28 were included in the quantitative analyses. Most studies were conducted in adults (n = 26) and in Western countries (North America=16, Europe=11) and assessed fluoride exposure in drinking water, urine, serum, toenail or diet. The preliminary dose-response curve showed a positive non-linear relation between F exposure through drinking water and bone fracture risk, regardless of site, starting at 1.5 mg/L. Sex-stratified analyses, based on a lower number of studies, showed similar trends, with an indication of higher susceptibility in males compared with females. Conclusions Overall, risk of bone fractures appears to non-linearly increase along with exposure to fluoride in drinking water, regardless of bone site and sex, at levels of exposure above the WHO standard and similar to those that have associated to altered thyroid and cognitive function. Under a public health perspective, fluoride in drinking water should be kept below 1.5 mg/L to prevent bone fractures. Key messages • Our analysis revealed a positive non-linear association between fluoride in drinking water and bone fracture risk. • Public Health actions should be oriented in keeping fluoride in drinking water below 1.5 mg/L to prevent bone fractures.

Experimental Study on Horizontal Resistance Parameter of Gravelly Soil Considering Slope Gradient Factor

Horizontal resistance can be significantly different for gravelly soil slope sites with different gradients. The impact of slope gradient on the horizontal resistance of soil based on a three-dimensional physical simulation test has been investigated, and the displacement of the pile top and soil pressure for four piles under various gradients (slope gradient 0–45°) was analyzed. The research reveals that ① The soil resistance exhibits a linear increase stage, non-linear steep increase stage, and gradually stabilizing stage with the increase in load. ② The ultimate soil resistance is significantly affected by depth and displacement, and hyperbolic variation characteristics related to the displacement stage. It has a slope weakening effect, and the steeper the slope gradient, the lower the ultimate soil resistance of the pile sides, which effect is negligible when the depth exceeds 0.6–0.7 times that of the pile buried depth. ③ Based on the characteristics of horizontal ultimate resistance-displacement-depth variation in soil, a gradient factor, which is only related to the slope gradient, was used to describe the impact of gradient on the soil resistance modulus (kini) and ultimate resistance (pu). kini is reduced close to the ground surface and gradually increases with depth until it becomes equal to the value of level ground. The ratio between pu in slope ground and level ground was determined for slope angles. The above horizontal resistance parameters were expressed as a function based on the test data to calculate the lateral ultimate bearing capacity of gravelly soil considering the slope gradient factor. The research results developed the theory of foundation design for building structures, promoting the reliability evaluation of pile soil systems towards a more scientific and rigorous direction.

Effect of current collector on the coupled electro-chemo-mechanical performance of graphite electrodes in LiBs.

The current collector, one of the main components in the manufacture of composite electrodes, is mainly used to enhance the mechanical stability and improve the performance and cycle performance of the electrodes. During the electrochemical reaction, the lithium diffusion can induce compressive stress and affect the mechanical performance, lifespan, and performance of batteries. Therefore, this study analyzed the influence of copper foil on the mechanical response and degradation performance of electrodes. In addition, a mathematical model was developed to analyze the effect of copper foil on the stress-strain behavior of the electrodes. The results indicated that the stress and modulus of the graphite electrodes have a non-linear increase with the lithiation process. Based on those findings, utilizing a thinner and more compliant current collector could effectively mitigate the in-plane strain and the stress within electrodes. Thus, developing a thinner and softer copper foil could simultaneously enhance the mechanical properties and specific density of composite electrodes for the next-generation LiBs.

Mapping Guaranteed Positive Secret Key Rates for Continuous Variable Quantum Key Distribution.

The standard way to measure the performance of existing continuous variable quantum key distribution (CVQKD) protocols is by using the achievable secret key rate (SKR) with respect to one parameter while keeping all other parameters constant. However, this atomistic method requires many individual parameter analyses while overlooking the co-dependence of other parameters. In this work, a numerical tool is developed for comparing different CVQKD protocols while taking into account the simultaneous effects of multiple CVQKD parameters on the capability of protocols to produce positive SKRs. Using the transmittance, excess noise, and modulation amplitude parameter space, regions of positive SKR are identified to compare three discrete modulated (DM) CVQKD protocols. The results show that the M-QAM protocol outperforms the M-APSK and M-PSK protocols and that there is a non-linear increase in the capability to produce positive SKRs as the number of coherent states used for a protocol increases. The tool developed is beneficial for choosing the optimum protocol in unstable channels, such as free space, where the transmittance and excess noise fluctuate, providing a more holistic assessment of a protocol's capability to produce positive SKRs.

Computational renormalization for thermal conductivity of porous asphalt concrete based on hybrid finite element-neural network method

Thermal conductivity of porous asphalt concrete (PAC) directly affects PAC pavement temperature field, which is closely related to the heat island effect in summer and pavement icing in winter. Due to the large and complex pores and the uneven surface in PAC, there is measurement uncertainty using traditional laboratory tests. In this study, a finite element-neural network (FE-NN) method was proposed to predict the thermal conductivity of PAC based on the three-dimensional (3-D) heterogeneous structure. Additionally, laboratory tests were conducted to measure the thermal conductivity of PAC, fine aggregate mixture (FAM), and basalt aggregate. The results served as input parameters for the FE-NN method and were used to verify its accuracy. Based on the validated method, various factors affecting the thermal conductivity of PAC were analyzed. The analysis results show that, compared to the transient plane source (TPS) method, the backcalculation method can achieve results similar to those obtained with the TPS method for basalt aggregate and FAM, but provides more stable measurements when applied to PAC. The accuracy of the FE-NN method is acceptable, with relative errors of 1.92∼4.34 % compared to the experimental results. Besides, 2-D structural models tend to underestimate the effective thermal conductivity of PAC, with values 83.2∼84.1 % lower than those calculated by 3-D models. When the representative volume element (RVE) sizes are larger than 256×256×256, the variances show little differences and are acceptable. Furthermore, typical aggregate thermal conductivity values were used as input, revealing a nonlinear increase in the effective thermal conductivity of PAC. When the void content increased from 18 % to 24 %, the effective thermal conductivity of PAC decreased by 19.83 %. The effective thermal conductivity of PAC changes more significantly with the thermal conductivity of the aggregate than that with the variation of porosity in an interval. The analysis findings provide insights for better evaluating the pavement temperature field and heat transfer to improve the PAC pavement material designs.

Nonlinear dielectric response and conductivity characteristics of epoxy resin in high voltage AC electric field

Abstract High-voltage dielectric and AC conduction behaviors of epoxy resin (EP) insulation are beneficial for the design and application of solid-state power electronic devices. This study investigates the nonlinear dielectric response and AC conduction characteristics of EP. The dielectric relaxation characteristics, including permittivity and AC conductivity of the EP samples, were investigated using high-voltage dielectric spectroscopy and the ionic polarization model. The results demonstrate a nonlinear increase in the relative permittivity and AC conductivity concerning the AC electric field. The increase in AC conduction under a high-frequency electric field is attributed to the reduction in the threshold field for charge injection caused by elevated temperatures. Considering the dielectric response and carrier hopping, it is evident that the nonlinear dielectric response of EP primarily originates from the ionic process under high electric fields. Ionic polarization, in conjunction with ion-hopping conduction, enhances the dielectric loss at high frequencies and electric fields, thereby facilitating the nonlinear conversion of AC conduction. The equivalent free volume is likely to increase in high-frequency fields. This phenomenon leads to an increase in AC conduction and even dielectric breakdown. This study offers a pivotal theoretical framework for the design and application of high-frequency insulation.

Green Campus Transformation in Smart City Development: A Study on Low-Carbon and Energy-Saving Design for the Renovation of School Buildings

In the context of increasingly deteriorating global ecological conditions and rising carbon emissions from buildings, campus architecture, as the primary environment for youth learning and living, plays a crucial role in low-carbon energy-efficient design, and green environments. This paper takes the case of Yezhai Middle School in Qianshan, Anhui Province, to explore wind environment optimization and facade energy-saving strategies for mountainous campus buildings under existing building stock renovation. In the context of smart city development, integrating advanced technologies and sustainable practices into public infrastructure has become a key objective. Through wind environment simulations and facade energy retrofitting, this study reveals nonlinear increases in wind speed with building height and significant effects of ground roughness on wind speed variations. Adopting EPS panels and insulation layers in facade energy retrofitting reduces energy consumption for winter heating and summer cooling. The renovated facade effectively prevents cold air intrusion and reduces external heat gain, achieving approximately 24% energy savings. This research provides a scientific basis and practical experience for low-carbon energy retrofitting of other campus and public buildings, advancing the construction industry towards green and low-carbon development goals within the framework of smart city initiatives.

Improving oral absorption of a rapidly crystallizing parent drug using prodrug strategy: Comparison of phosphate versus glycine based prodrugs

With an increasing number of Biopharmaceutical Classification System (BCS) II/IV pipeline compounds, solubilizing and supersaturating formulation strategies are becoming prevalent. Beyond formulation and solid form strategies, prodrugs are also employed to overcome solubility-limited absorption of poorly water-soluble compounds. Prodrugs can potentially yield supersaturated systems upon conversion to the parent drug intraluminally and thus enhance absorption. However, supersaturation also increases the driving force for crystallization, resulting in low solution concentrations, which can potentially negate the advantage of prodrugs. In this work, two unique solubility-enhancing prodrugs, phosphate and glycine esters, were investigated for a rapidly crystallizing parent drug. Ex vivo absorption studies using rat tissue and in vivo studies in dogs were performed. Conversion rate of the phosphate prodrug to the parent was dependent on the milieu and increased ∼24-fold in the presence of intestinal contents as medium and tissue relative to neat buffer. In contrast, conversion of the glycine prodrug was minimal under any conditions tested, suggesting that the conversion occurs after absorption into the enterocytes. Phosphate prodrug showed a non-linear increase in parent drug absorptive flux across rat intestinal tissue with concentration when intestinal contents were used as donor media. This was attributed to rapid conversion and high supersaturation of the parent drug which subsequently resulted in crystallization at high doses in the donor chamber. Glycine prodrug did not undergo complete conversion at high doses and was absorbed unchanged on the basolateral side, indicating saturation of the converting enzymes in the enterocytes. The combined flux (parent drug and glycine) showed a linear increase with dose and crystallization was not observed. Under physiological conditions, glycine prodrug that is absorbed unchanged from the intestine can potentially undergo complete conversion in hepatocytes after absorption and make the parent drug systemically available. Thus, glycine prodrug provided overall higher absorption compared to phosphate prodrug. The observed flux levels for both the prodrugs were higher compared to the parent drug alone, highlighting an advantage to use of a prodrug strategy to improve absorption of such compounds. Oral dosing in a dog PK study revealed that the bioavailability using the phosphate prodrug was ∼50% whereas, it was ∼100% with glycine prodrug, supporting the in vitro observations.

Optimization of cooling process under varied pulsed conditions in multi-stage thermoelectric systems

This paper addresses the issue of thermoelectric cooling in a pulsed quasi-steady state (repetitive) condition. This situation occurs, for example, for an electronic integrated circuit performing demanding tasks in a discontinuous manner. Using heat reservoirs of selected capacity that are part of the thermoelectric system and appropriate shaping of the time profile of the supplied electrical current, cooling temperatures not achievable in the steady state for the system can be reached in a pulsed manner for a specified period. This process is subject to optimisation. The analysis was carried out for a two-stage system with an internal (interstage) heat reservoir of a given thermal capacity. The aim of the study was to find the relationship between the level of the supercooling temperature, its repeatability and the ability to maintain this temperature for a given time. To this end, two supply current waveforms were adopted and optimised both without and with contact thermal resistance in the system. The lowest subcooling temperature of about 7 K lower than the steady-state temperature was obtained for a very long period and a very short holding time. Decreasing the period or increasing the holding time results in a non-linear increase in temperature. Similar effects are obtained for the contact thermal resistance present in each layer. A full map of the period-thermal resistance–temperature relationship was determined, as well as the supercooling potential curves.

Effects of nonlinearity on the crest shape of extreme irregular sea waves: Nonlinear harmonic separation and analysis

This work highlights the effects of nonlinearity on the crest shape of extreme directional water wave events in infinite and finite water depths. HOS-ocean, a High-Order Spectral code developed for solving the deterministic propagation of nonlinear wavefields in open ocean [Ducrozet et al., “HOS-ocean: Open-source solver for nonlinear waves in open ocean based on High-Order Spectral method,” Comput. Phys. Commun. 203, 245–254 (2016)], is used for comparisons with linear simulations. Nonlinear wave harmonics were extracted combining and extending previous methods [Fitzgerald et al., “Phase manipulation and the harmonic components of ringing forces on a surface-piercing column,” Proc. R. Soc. A 470, 20130847 (2014) and Hann et al., “A new set of focused wave linear combinations to extract non-linear wave harmonics,” in Proceedings of 29th International Workshop on Water Waves and Floating Bodies, 2014], showing the contribution of various orders of nonlinearity. The work shows that “walls of water,” [Adcock et al., “Nonlinear dynamics of wave-groups in random seas: Unexpected walls of water in the open ocean,” Proc. R. Soc. A 471, 20150660 (2015) and Adcock et al., “On the shape of large wave-groups on deep water—The influence of bandwidth and spreading,” Phys. Fluids 28, 106601 (2016)], a significant increase in the crest width, are also formulated in finite water depths. Mainly responsible for this is the first order harmonic, with significant energy transfers away from components propagating at an angle, which are more pronounced in finite water depths. As nonlinearity increases, higher order harmonics (>second) become, as expected, more significant. In deep water, rapid energy transfers lead to a broadening of the spectrum which is reflected in the increase in the first order amplitude sum and hence increased crest elevations at the point of the large event. However, in finite water depths, energy transfers are gradually leading to a narrowing of the spectrum around the spectral peak and to a general broadening of the spectrum at the higher harmonics; reflected in the significant decrease in the first order amplitude sum and hence a decrease in crest elevations at the point of the large event, also aided by the larger increase in the out-of-phase difference terms (zeroth harmonic).

Legacy and emergent contaminants in glaucous-winged gull eggs from Canada's Pacific coast: Spatial distribution, temporal trends, and risks for human consumers

Using glaucous-winged gull (Larus glaucescens) eggs from Canada's Pacific coast, we investigated spatial and temporal trends (2008–2022) of a suite of legacy and emergent contaminants, including 16 perfluoroalkyl substances (PFAS), 15 polybrominated diphenyl ethers (PBDEs), 7 alternative halogenated flame retardants (AHFRs), total mercury (THg), as well as stable isotopes of carbon (δ13C) and nitrogen (δ15N) to control for diet. Legacy organochlorines (OCs) were also measured in eggs in 2020 for a preliminary human health risk assessment (HHRA). Between 2008 and 2022, glaucous-winged gull eggs from more urban-influenced colonies (Mandarte Island) were up to ∼2x more contaminated with PFAS, PBDEs, AHFRs, and THg than eggs from the offshore colony (Cleland Island), suggesting different source regions and dietary exposures. Concentrations of Σ15PBDEs declined linearly among colonies (p < 0.001), consistent with several North American phase-outs and regulatory restrictions dating back to the early/mid 2000s. Conversely, temporal trends for PFOS, Σ12PFCAs, Σ7AHFRs, and THg were characterized by a combination of second-order declines and non-linear increases in recent years. After correcting THg for dietary shifts using δ15N, THg concentrations followed a U-shaped trend at Mandarte and Cleland Islands, while those at Mitlenatch Island remained relatively constant over time. Increasing trends for some contaminants coincided with both an increase in δ13C and δ15N. For the HHRA, all gull eggs collected in 2020 had hazard quotients (HQs) < 0.2, indicating no foreseeable risk or harm for First Nations consumers for certain contaminants. Our findings indicate that spatio-temporal trends of persistent organic contaminants and THg in Pacific glaucous-winged gull eggs are influenced by a combination of factors, including the impact of regulations on anthropogenic emissions, accompanied by changes in foraging behaviour and food-web structure.

Analysis of the influence of nonlinear energy sink parameters applicable to helicopter main reduction systems

Abstract In response to the vibration problem of helicopter fuselage caused by continuous rotor periodic excitation force, a nonlinear energy sink is considered to be installed on the main reduction transmission channel to reduce the vibration level of the fuselage. This article conducts an analysis of the influence of nonlinear energy sink structure parameters under harmonic excitation force, establishes a coupled dynamic model of helicopter main reduction/absorber/fuselage, and uses harmonic balance method and stability analysis theory to analyze the periodic solution and stability of the system. Using the vibration amplitude of the system as the evaluation criterion, the influence of damping, stiffness, and mass ratio on the vibration suppression effect of the nonlinear energy sink was explored. The results showed that as the damping of the nonlinear energy sink increased, the resonance frequency of the coupled system shifted to the left, and the vibration amplitude of the main reduction system increased; As the stiffness of the nonlinear energy sink increases, the vibration amplitude of the coupled system will first decrease and then increase, gradually approaching the vibration amplitude of the system without coupled dampers; The influence of mass ratio on system amplitude follows the same trend as the influence of stiffness. By optimizing, the structural parameters of the nonlinear absorber with good vibration suppression effect are ultimately obtained.

Maximizing thermal management of photovoltaic-thermal systems with proper configuration of porous fins and phase change materials

Effective thermal management is crucial to enhance the performance and longevity of photovoltaic-thermal (PVT) systems. Phase change materials (PCMs) offer a promising solution for absorbing excess heat from PV modules; however, their poor thermal conductivity limits their effectiveness. This work explores the incorporation of porous fins within PCMs to improve heat absorption and thermal regulation in PVT systems. A detailed mathematical model is developed to analyze the effects of varying fin porosity (0.85 to 0.95), fin thickness (7 to 21 mm), fin height (7 to 21 mm), and fin inclination (-15° to 30°) on PCM melting and PVT cooling performance. Results show that optimally configured porous fins significantly enhance PCM melting rates and heat extraction from PV cells. Incorporating optimal fins reduces peak PV temperatures by up to 5°C compared to PCM alone at irradiation rate of 1000 W/m2. Meanwhile, reducing the fin thickness from 21 to 7 mm accelerates the overall PCM melting rate by 14%. The cooling performance also shows a nonlinear increase with fin tilt angle, with maximum enhancement occurring at 15° downward tilt for the studied configuration. The optimized fin-enhanced PVT design achieves 3.1% higher electrical efficiency and 15% increase in thermal efficiency compared to conventional PCM-PVT systems without fins. Findings provide design guidance to harness porous fins for maximized PCM-based cooling of PVT systems.

Symptom trajectories in infancy for the prediction of subsequent wheeze and asthma in the BILD and PASTURE cohorts: a dynamic network analysis

Host and environment early-life risk factors are associated with progression of wheezing symptoms over time; however, their individual contribution is relatively small. We hypothesised that the dynamic interactions of these factors with an infant's developing respiratory system are the dominant factor for subsequent wheeze and asthma. In this dynamic network analysis we used data from term healthy infants from the Basel-Bern Infant Lung Development (BILD) cohort (435 neonates aged 0-4 weeks recruited in Switzerland between Jan 1, 1999, and Dec 31, 2012) and replicated the findings in the Protection Against Allergy Study in Rural Environments (PASTURE) cohort (498 infants aged 0-12 months recruited in Germany, Switzerland, Austria, France, and Finland between Jan 1, 2002, and Oct 31, 2006). BILD exclusion criteria for the current study were prematurity (<37 weeks), major birth defects, perinatal disease of the neonate, and incomplete follow-up period. PASTURE exclusion criteria were women younger than 18 years, a multiple pregnancy, the sibling of a child was already included in the study, the family intended to move away from the area where the study was conducted, and the family had no telephone connection. Outcome groups were subsequent wheeze, asthma, and healthy. The first outcome was defined as ever wheezed between the age of 2 years and 6 years. Week-by-week correlations of the determining factors with cumulative symptom scores (CSS) were calculated from weeks 2 to 52 (BILD) and weeks 8 to 52 (PASTURE). The complex dynamic interaction between the determining factors and the CSS was assessed via dynamic host-environment correlation network, quantified by a simple descriptor: trajectory function G(t). Wheeze outcomes at age 2-6 years were compared in 335 infants from BILD and 437 infants from PASTURE, and asthma outcomes were analysed at age 6 years in a merged cohort of 783 infants. CSS was significantly different for wheeze and asthma outcomes and became increasingly important during infancy in direct comparison with all determining factors. Weekly symptoms were tracked for groups of infants, showing a non-linear increase with time. Using logistic regression classification, G(t) distinguished between the healthy group and wheeze or asthma groups (area under the curve>0·97, p<0·0001; sensitivity analysis confirmed significant CSS association with wheeze [BILD p=0·0002 and PASTURE p=0·068]) and G(t) was also able to distinguish between the farming and non-farming exposure groups (p<0·0001). Similarly to other risk factors, CSS had weak sensitivity and specificity to identify risks at the individual level. At group level however, the dynamic host-environment correlation network properties (G(t)) showed excellent discriminative ability for identifying groups of infants with subsequent wheeze and asthma. Results from this study are consistent with the 2018 Lancet Commission on asthma, which emphasised the importance of dynamic interactions between risk factors during development and not the risk factors per se. The Swiss National Science Foundation, the Kühne Foundation, the EFRAIM study EU research grant, the FORALLVENT study EU research grant, and the Leibniz Prize.

Experimental and numerical study on mechanical properties of sand-contaminated ballast aggregates in confined condition

This study investigates the impact of sand contamination on the mechanical properties of railway ballasted tracks in confined condition. A combination of experimental confined uniaxial compression tests and discrete element method (DEM) simulations was employed. The experiments assessed the bulk density and elastic modulus of ballast aggregates, while the DEM simulations focused on sand movement, coordination numbers, and contact forces to elucidate the mesoscopic behavior. Findings from both experiments and simulations consistently demonstrate that sand contamination linearly increases the bulk density and causes a non-linear increase in the elastic modulus of ballast aggregates. With increasing degrees of sand contamination under vertical loading, both coordination numbers and contact forces are reduced. Sand intrusion initially leads to an uneven distribution of sand grains, primarily in the lower layer of the ballast aggregate; however, this distribution becomes more uniform when contamination exceeds 62.5%. The presence of sand particles diminishes the contact forces between ballast particles, thereby escalating the challenges associated with maintenance and repair.

Analysis of electrothermal shape memory alloy and disc-type magnetorheological fluid combined transmission

In this article, a disc-type magnetorheological fluid and electrothermal shape memory alloy spring-loaded slider friction combined transmission device is proposed. A heating model of the electrothermal shape memory alloy spring is used to calculate the relationship between current and spring temperature. Experiments are used to investigate the link between spring temperature and restoring force, as well as magnetorheological fluid temperature, magnetic flux density, and shear yield stress. The torque characteristics of the combined device were evaluated utilizing the coupled magnetic field and thermal field finite element method for the characteristics of the two materials. The results showed that the magnetorheological fluid showed an approximately linear decrease in shear yield stress at high temperatures, up to 37.94 %. The heating rate of the electrothermal shape memory alloy spring was influenced by the surrounding temperature, and the heating rate was too fast to easily cause the time lag of the martensite phase transformation, resulting in the spring restoring force becoming smaller, and its restoring force shows a non-linear increase when the temperature rises from 22 °C to 100 °C. By applying the two materials together, the torque of the combined transmission has been significantly increased, by 91.58 % compared to the same size magnetorheological transmission.

Particularities of optical behavior of Ag8SiS6 single crystal

Ag8SiS6 single crystal was grown by directional crystallization from melt. A crystal sample was investigated by optical ellipsometry and spectroscopy. This sample had nonlinear spectral dependences of the refractive index n and the extinction coefficient k. The presence of a sharp maximum in the spectral dependence of the refractive index and a rather sharp decrease in the values of the extinction coefficient k at the wavelength of 780 nm were found. The behavior of the optical absorption edge of the Ag8SiS6 single crystal in the temperature range of 77…300 K was studied. An exponential dependence of the absorption coefficient α obeying the Urbach rule was observed at all the investigated temperatures. The optical pseudo-gap Eg* and the Urbach energy EU were calculated from the obtained experimental data. An increase in temperature of the Ag8SiS6 crystal was found to lead to a monotonic, almost linear decrease in Eg* (1.853…1.615 eV) and a monotonic nonlinear increase in EU (44.32…55.01 meV). The contributions of the temperature-independent (EU)X,C and temperature-dependent (EU)T components to the total Urbach energy EU for Ag8SiS6 were evaluated within the Einstein model.

Introducing Y2O3 passivation layer for utilizing TiSiN electrode on ZrO2-based metal-insulator-metal capacitor applications

This study investigates the degradation and improvement of the dielectric properties of ZrO2-based metal-insulator-metal (MIM) capacitors using TiSiN electrodes. As dynamic random-access memory (DRAM) design rules scale down, the mechanical properties of TiSiN electrodes provide advantages over conventional TiN, but also introduce challenges due to Si diffusion into ZrO2 films, forming low-dielectric constant (k) Zr-silicate and defect-related dielectric degradation. We evaluate the dielectric properties of ZrO2 films on TiSiN electrodes and identify significant reductions in the dielectric constant and an increase in DC and AC non-linearity due to Zr-silicate formation. To mitigate these problems, a Y2O3 passivation layer is introduced between the TiSiN electrode and ZrO2 dielectric film. Physical and chemical analyses, including X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), confirm that Y2O3 passivation effectively suppresses Si diffusion, preventing formation of Zr silicate, and preserving the high-k tetragonal phase of ZrO2. Electrical measurements show that the Y2O3 layer significantly improves the dielectric constant and reduces non-linearity effects. Notably, even at a reduced ZrO2 thickness of 4 nm, a relatively high k value is maintained with Y2O3 passivation. This study concludes that the Y2O3 passivation layer is indispensable for maintaining high dielectric performance in ZrO2-based MIM capacitors with TiSiN electrodes, ensuring stability and efficiency in advanced DRAM applications.

Exploitation of Pore Structure for Increased CO2 Selectivity in Type 3 Porous Liquids.

CO2 capture requires materials with high adsorption selectivity and an industrial ease of implementation. To address these needs, a new class of porous materials was recently developed that combines the fluidity of solvents with the porosity of solids. Type 3 porous liquids (PLs) composed of solvents and metal-organic frameworks (MOFs) offer a promising alternative to current liquid carbon capture methods due to the inherent tunability of the nanoporous MOFs. However, the effects of MOF structural features and solvent properties on CO2-MOF interactions within PLs are not well understood. Herein experimental and computational data of CO2 gas adsorption isotherms were used to elucidate both solvent and pore structure influences on ZIF-based PLs. The roles of the pore structure including solvent size exclusion, structural environment, and MOF porosity on PL CO2 uptake were examined. A comparison of the pore structure and pore aperture was performed using ZIF-8, ZIF-L, and amorphous-ZIF-8. Adsorption experiments here have verified our previously proposed solvent size design principle for ZIF-based PLs (1.8× ZIF pore aperture). Furthermore, the CO2 adsorption isotherms of the ZIF-based PLs indicated that judicious selection of the pore environment allows for an increase in CO2 selectivity greater than expected from the individual PL components or their combination. This nonlinear increase in the CO2 selectivity is an emergent behavior resulting from the complex mixture of components specific to the ZIF-L + 2'-hydroxyacetophenone-based PL.

Atomic-scale deformation behavior of SiC polytypes using molecular dynamics simulation

The atomic-scale deformation behavior of the Silicon carbide (SiC) polytypes, including 3 C-SiC and 4 H-SiC, during the nanoindentation with different square-based pyramid indenter angles was investigated by molecular dynamics (MD) simulations. Detailed analyses were conducted on atomic displacement magnitude, atomic structure, radial distribution function and dislocation distribution were analyzed in-depth in both loading and unloading processes. The results show that the indentation deformation phenomenon of ‘‘pile-up’’ occurs with indenter angles below 120°. Maximum load shows a non-linear increase trend as the indenter angles increase. The residual depth of the 3 C polytype has insignificant fluctuations while that of the 4 H polytype generally increases as the angle decreases and fluctuates at the indenter angles of 100° ∼ 110°. The number of amorphous atoms in 4 H is greater than that of 3 C polytype. Most of the amorphous atoms recover to their original structure after the indenter is fully withdrawn. Dislocation analysis indicates that the total length of dislocation lines increases with larger indenter angles. The length of the 3 C dislocation line is greater than that of 4 H. At the same indenter angle, the dislocation slip depth of 3 C polytype is greater than that of 4 H polytype due to the different lattice stacking order of 3 C polytype is greater than that of 4 H polytype due to the different lattice stacking order.