This study proposes a methodology for predicting the physical properties such as the density of polymer composites, including asphalt binders, and evaluates its feasibility by identifying the quantitative relationship between the structure and properties of individual polymers. To this end, features are constructed using molecular dynamics (MD) simulation results and descriptor calculation tools. This study investigates the changes in the calculated density depending on the characteristics of the training dataset and analyzes the feature characteristics across datasets to identify key features. In this study, 2,415 hydrocarbon and binder-derived polymer molecules were analyzed using MD simulations and 2,790 chemical descriptors generated using alvaDesc. The features were pre-processed using correlation filtering, PCA, and recursive feature elimination. The XGBoost models were trained using k-fold cross-validation and Optuna optimization. SHAP analysis was used to interpret feature contributions. The variables influencing the density prediction differed between the hydrocarbon and binder groups. However, the hydrogen atom count (H), van der Waals energy, and descriptors such as SpMAD_EA_LboR consistently had a strong impact. The trained models achieved high accuracy (R² > 0.99) across different datasets, and the SHAP results revealed that the edge adjacency, topological, and 3D geometrical descriptors were critical. In terms of predictive accuracy and interpretability, the integrated MDQSPR framework demonstrated high reliability for estimating the properties of individual binder polymers. This approach contributed to a molecular-level understanding and facilitated the development of ecofriendly and efficient modifiers for asphalt binders.

This study proposes a methodology for predicting properties such as the density of polymer composites, including asphalt binders, and evaluates its feasibility by identifying the quantitative relationship between the structure and properties of individual polymers. To this end, this study investigates the variations in molecular dynamics (MD) results with molecular structural complexity and assesses the independence and correlation of variables that influence density. In this study, MD simulations were performed on hydrocarbon-based and individual asphalt binder molecules. The effects of various temperatures, molecular conditions, and structural features on the density were analyzed. MD-related variables influencing the calculated density were evaluated and compared with experimentally measured densities. The MD-calculated densities were used as target variables in a subsequent study, in which a machine learning model was applied to perform quantitative structure–property relationship analysis.The MD-calculated densities showed a strong correlation with experimental measurements, achieving a coefficient of determination of R2 > 0.95. Potential energy exhibited a tendency to cluster into 4–6 groups depending on the molecular structure. In addition, increasing molecular weight and decreasing temperature led to higher density and viscosity. Torsional energy and other individual energy components were identified as significant factors influencing both potential energy and density. This study provided foundational data for the property prediction of asphalt binders by quantitatively analyzing the relationship between the molecular structure and properties using MD simulations. Key features that could be used in the construction of polymer structure databases and AI-based material design were also proposed. In particular, the integration of MD-based simulation and machine learning was confirmed to be a practical alternative for predicting the properties of complex polymer composite systems.

건설 자재와 건설 폐기물의 환경적 영향에 대한 사회적 관심이 높아지고 있다. 고강도 콘크리트의 필요성이 점차 커짐에 따라, 본 연구에서는 서로 연관된 환경 문제에 대한 두 가지 잠재적 해결책을 검토하였다. 첫째는 재활용 콘크리트 골재의 사용량 증가 가능성이고, 둘째는 고로 슬래그를 시멘트로 활용(재활용)할 가능성이다. 일반적으로 재활용 골재를 사용하면 고강도 콘크리트의 강도 가 저하되는 것으로 알려져 왔다. 따라서, 본 연구에서는 재활용 골재 콘크리트의 배합비와 함량 변화를 분석하여 고층 건축에 재활용 골재가 실용적인지, 그리고 어떤 방식으로 활용되는지를 규명하고자 하였다.

바이오차는 현재 토양개량제이자 탄소격리재로 사용되고 있으며, 건축산업에서 탄소격리에 관한 관심이 증가하고 있다. 본 연구에서는 목질계 바이오차를 시멘트 복합체에 함유하여 탄소격리효과의 가능성을 조사하는 것을 목표로 한다. 목질계 바이오차는 고탄소 물질로 수분을 흡수하는 특성이 있으며 시멘트 복합체에 함유하고자 할 때 시멘트와 비슷한 입도를 가져야한다. 혼입방법에 따라 바이오차를 함유한 시멘트 모르타르의 압축강도 특성을 평가하였으며, 시멘트를 바이오차로 1∼5% 치환하는 경우 Plain 대비 5∼12%까지 압축강도가 증진되는 것을 확인하였다.

본 연구는 염소 도축공정 확립을 위해, 도축 과정 중 탕박(scalding) 및 박피(skinning)가 재래흑염소 등심의 저장 중 물리화학적 특성에 미치는 영향을 비교 분석하고자 수행되었다. 동일한 사양 조건에서 사육된 재래흑염소 6 두를 각각 탕박 및 박피 과정에 따라 도축한 후, 등심근을 채취하여 저장 기간 동안 이화학적 특성 변화를 관찰하여 재래흑염소에 적합한 도축 방법을 선택하고자 하였다. 그 결과, 탕박처리는 전반적으로 연도를 개선하는 데 효과적인 것으로 나타났으며, 박피 처리는 저장 중 보수력 유지에 우수하고, 색도의 선명도(a*, chroma)와 지질산화에 더 안정적인 특성을 보였다. 탕박은 소비자의 기호도 측면에서 유리한 부드러운 조직감을 제공할 수 있지만, 박피는 특히 위생적 안전성과 품질 균일성 확보 측면에서 더 바람직한 도축 방법으로 판단된다.

Efficient donor-acceptor (D-A) molecular scaffolds should be developed for the advancement of organic solar cells (OSCs). Density functional theory (DFT) and time-dependent density functional theory (TDDFT) studies provide an effective methodology to perform initial studies to design and investigate D-A molecular systems. Two fluorine-substituted bis-benzothiadiazoles (FBBTs) are designed and optimized using the DFT method. The results show better planarity for FBBT2, which is attributed to π-extension between the FBBT units. A series of D-A small molecules CB1-4 are designed utilizing FBBT2 to study the effect of systematically substituting carbazole donor and cyano-based acceptor groups on the optoelectronic properties of FBBT. DFT calculations are performed using the B3LYP functional. The designed D-A scaffolds exhibit systematic tuning of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), HOMO-LUMO gap (from 2.333 eV to 1.825 eV). The observed HOMO-LUMO gap follows the trend CB1 > CB2 > CB4 > CB3. The Voc (open-circuit voltage) and power conversion efficiency (PCE) for CB1-4 are presented with the PC71BM acceptor. The overall trend observed for the Voc follows the order CB1 < CB4 < CB2 < CB3. The PCE trend observed using the Scharber model follows the trend CB3 > CB4 > CB2 > CB1. The results show that end cap modeling of π-extended FBBT with cyano-based acceptor groups significantly improves the observed PCE and Voc.

Sodium-ion batteries (SIBs) offer a viable alternative to partially or fully replace lithium ion batteries (LIBs) due to their lower cost and increased safety. This paper outlines the compositional optimizations, crystallographic evaluations, and electrochemical behavior of a novel mixed NASICON polyanionic compound, NaFe2PO4(SO4)2 (NFPS). X-ray photoelectron spectrometry (XPS) results showed that cobalt doping produces a higher concentration of oxygen defects compared to undoped samples. Scanning electron microscopy (SEM) analysis results revealed that the modified sample has more uniform pores and pore distribution. Brunauer-Emmett-Teller (BET) measurements showed that doping of Co2+ reduces the specific surface area of NFPS-Co0.08 compared to NFPS. This shortens the sodium ion diffusion pathway and promotes ion dynamics. The addition of Co2+ to the sample significantly improved its performance during galvanostatic charge-discharge tests. The electrochemical activity also is significantly enhanced by Co2+ doping. Na0.84Co0.08Fe2PO4(SO4)2 exhibits superior rate and cycling performance compared to pristine NFPS. After 80 cycles at 25 mA g-1, NFPS-Co0.08 retained discharge specific capacity of 60.8 mA h g-1, which is 1.24 times greater than that of NFPS.

This study examines the effect of delayed quenching (DQ) temperature on the microstructure and mechanical properties of API X70 linepipe steels. Three types of steels were fabricated by varying the DQ conditions: Base (without DQ), LDQ (low-temperature delayed quenching at 700 °C), and HDQ (high-temperature delayed quenching at 740 °C). The microstructures were characterized using optical microscopy, scanning electron microscope (SEM), and electron back-scattered diffraction (EBSD), and their mechanical properties were evaluated through tensile and Charpy impact tests. The Base specimen exhibited the finest effective grain size and the highest bainite fraction, resulting in superior yield strength and impact toughness. In contrast, the LDQ specimen showed increased pearlite content and coarser grains, leading to the highest tensile strength due to work hardening, but reduced impact properties due to crack initiation at the pearlite regions. The HDQ specimen, with the highest ferrite fraction, showed the best ductility and acceptable strength, as well as improved lowtemperature toughness owing to increased resistance to cleavage propagation. EBSD analysis confirmed that finer grains and higher fractions of high-angle grain boundaries play a crucial role in enhancing impact energy and lowering the ductile-to-brittle transition temperature (DBTT). These findings highlight the importance of optimizing DQ parameters to achieve a balanced combination of strength–toughness in high-strength linepipe steels.

Since the first introduction of plastics, the issue of recycling has been repeatedly discussed. Plastics with limited biodegradability accumulate in the soil and ocean when deposited in landfills, causing environmental problems, and when incinerated emit a large amount of carbon. In particular, polyethylene terephthalate (PET) is now an indispensable material in daily life, and the waste it generates is also significant. In response, we sought a way to use PET waste as a concrete additive. Typically, adding PET damages the physical strength of concrete, and to solve this problem, gamma ray irradiation was first applied to the PET. The overall peak intensity of the fourier transform infrared spectroscopy (FT-IR) absorption spectrum of gamma-ray-irradiated PET increased, and the surface hydrophilicity of the material increased. In addition, it was confirmed that surface roughness increased when PET was irradiated with gamma rays. The strength of concrete mixed with gamma-irradiated PET was measured, and the compressive strength increased compared to concrete mixed with non-gamma-irradiated PET, and in the case of fibrous PET, the flexural strength increased.

A high-pressure in-situ permeation measuring system was developed to evaluate the hydrogen permeation properties of polymer sealing materials in hydrogen environments up to 100 MPa. This system employs the manometric method, utilizing a compact and portable manometer to measure the permeated hydrogen over time, following high-pressure hydrogen injection. By utilizing a self-developed permeation-diffusion analysis program, this system enables precise evaluation of permeation properties, including permeability, diffusivity and solubility. To apply the developed system to high-pressure hydrogen permeation tests, the hydrogen permeation properties of ethylene propylene diene monomer (EPDM) materials containing silica fillers, specifically designed for gas seal in high-pressure hydrogen environments, were evaluated. The permeation measurements were conducted under pressure conditions ranging from 5 MPa to 90 MPa. The results showed that as pressure increased, hydrogen permeability and diffusivity decreased, while solubility remained constant regardless of pressure. Finally, the reliability of this system was confirmed through uncertainty analysis of the permeation measurements, with all results falling within an uncertainty of 11.2 %.

We investigated three fan-shaped jets observed above sunspot light bridges or nearby sunspot regions. The study aimed to explore the dynamics and physical properties of jets’ features that appear as blob-like structures at the tips of the jets, which we call ‘dark blobs’. A transparent region is observed beneath the dark blobs, creating a visible gap between the dark blobs and the trailing body of the jets. These phenomena were studied in chromospheric and transition region imaging and spectral high-resolution co-observations from the Visible Imaging Spectrometer of the Goode Solar Telescope at the Big Bear Solar Observatory and the Interface Region Imaging Spectrograph (IRIS), together with data from the Atmospheric Imaging Assembly (AIA) on board the Solar Dynamics Observatory. We analyzed the jets’ morphology and fine structure. We obtained the spatial scale and the dynamics of the dark blobs that are seen mostly in the wings of the Hα line and have a cross-section of about 0.2′′–0.3′′. The dark blobs and the transparent regions are seen bright (in emission) in the IRIS slit-jaw 1330 Å, 1400 Å, and AIA 304 Å images. The IRIS Si iv 1394 Å spectrum of the brightenings showed blue-shifted emission of about 16 km s−1 with non-thermal velocities of up to 40 km s−1. We also estimated the electron density of the blue-shifted brightenings to be 1012.1±0.2 cm−3. Our findings likely suggest that we detect the observational signatures of shock waves that generate and/or contribute to the evolution of fan-shaped jets.

In this study, we analyzed the structural and mechanical properties of aluminum foams fabricated using aluminum powders of varying sizes and mixtures. The effects of sintering and pore structure at each size on the integrity and mechanical properties of the foams were investigated. Structural characteristics were examined using scanning electron microscopy and micro–computed tomography, while mechanical properties were evaluated through compression testing. The experimental results demonstrated that smaller powder sizes improved foam integrity, reduced porosity and pore size, and resulted in thinner cell walls. In combination, these effects increased compressive strength as the powder size decreased. The findings of this study contribute to the understanding and improvement of the mechanical properties of aluminum foams and highlight their potential for use in a wide range of applications.

The structural, thermal, and electrical characteristics of the superconducting Bi2Ba2Ca2Cu3O10+δ compound are the main subjects of this work. The solid-state reaction (SSR) method was used to prepare the samples. The samples were placed in a furnace and heated at 820 °C for 70 hours at a heating rate of 5 °C/min. X-ray diffraction (XRD) studies were then performed on the prepared samples. XRD results revealed an orthorhombic crystal structure with variations in the lattice constants a, b, and c (where a = 5.416, b = 5.432, and c = 36.5 Å). The highest superconducting transition phase fraction (HTP%) was 78.76 %. The composition and morphology of the superconducting compound were studied using a scanning electron microscope (SEM). Images were taken at 20 kX magnification, where we observed nanoparticles with a size of 86.65 nm had formed. The elemental analysis of the sample was conducted with energy-dispersive X-ray spectroscopy (EDS), and the results showed the presence of different elements and their proportions for each sample. Thermal conductivity was also measured and it was found that the sample conductivity increased with increasing temperature. The electrical resistivity was examined, and it was observed that the resistivity decreased as the sample was cooled. The results showed that the highest initial critical temperature was 131 K, while the zero critical temperature was 114 K.

The objective of this study was to assess the effects of gypsum application on dry matter yield (DMY), mineral content of alfalfa (Medicago sativa L.), and soil properties in reclaimed tidal land in South Korea. The experiment was conducted in Seokmun, located on the west coast of South Korea, which is reclaimed with approximately 70 cm depth of degraded island soil. Treatments consisted of a control with no gypsum application (G0), 2 ton ha-1 (G2), and 4 ton ha-1 (G4) of gypsum application. The first harvest was carried out when the alfalfa reached 10% flowering, and subsequent harvests were conducted at 35-day intervals. Over the three-year experimental periods (2019-2021), the total DMY of G2 treatment was significantly higher than those of G0 and G4 (p<0.05). Although both G2 and G4 gypsum application treatments lowered soil pH, the G4 treatment increased the electrical conductivity (EC) content of the soil. Additionally, gypsum application affected the mineral contents of alfalfa, resulting in reduced concentration of sodium (Na) and Magnesium (Mg). Therefore, this present study suggests that a gypsum application rate of 2 ton ha-1 is optimal for improving alfalfa dry matter yield and mineral balance, as well as enhancing soil chemical properties in reclaimed tidal land in South Korea.

This study evaluated the effects of solid and water-soluble extracts derived from torrefied Pinus densiflora on lettuce (Lactuca sativa) germination and growth, as well as the cultivation efficiency of torrefied materials combined with plant nutrient solutions. Torrefied samples were prepared under various conditions (200°C, 220°C, 240°C for 20–80 minutes) and mixed with sand at ratios from 20% to 100%. Liquid extracts were formulated with macronutrients (N, P, K, Mg) and micronutrients (Mn, B, Fe, Cu) and applied to leafy and root vegetables. Germination tests showed that 60% and 80% torrefied treatments had the highest and most consistent rates, with torrefied samples promoting more rapid and stable germination than controls. A two-way ANOVA indicated a significant interaction between treatment and concentration (p = 0.043), suggesting concentration-specific effects. While shoot length showed no significant difference, root growth was marginally significant (p = 0.064), with washed torrefied material producing the longest roots. Physical analysis revealed that torrefied materials improved soil thermal retention and moisture-holding capacity. However, increasing torrefied content reduced porosity, likely due to fine particles filling soil pores. In conclusion, torrefied P. densiflora materials exhibit strong potential to enhance germination, root development, and soil condition. Optimal results were achieved with 40–60% solid mixtures for germination and 60–80% diluted extracts for rapid and consistent seedling growth. When optimally applied, they may serve as effective, sustainable amendments in cultivation systems.

In this paper, the uniaxial tensile mechanical characteristics after synchronous biaxial pre-tension analysis are investigated on a ETFE film crown model. After the biaxial pre-stretching is completed, the rectangular specimens are cut along the MD and TD directions of the biaxially pre-stretched ETFE film to conduct the uniaxial stretching test. The uniaxial tensile mechanical properties of the ETFE film after biaxial pre-stretching are investigated, the specific uniaxial tensile mechanical property parameters of the biaxially pre-stretched film are determined, and the influence of biaxial pre-stretching on the uniaxial tensile mechanical properties of the ETFE film is analyzed.

In this study, proteins were extracted from sesame and perilla meals (agricultural by-products) by using hot-water defatting and acid precipitation, and their functional properties were compared with those of a commercial soy protein isolate (SPI). According to the SDS-PAGE results, the sesame meal protein extract (SMPE) exhibited a higher content of hydrophobic amino acids than the perilla meal protein extract (PMPE), alongside a relatively lower intensity of the 7S globulin band. SMPE showed 1.41-fold higher solubility than SPI at pH 10 and 1.72- and 1.66-fold higher emulsifying activity indices (EAIs) at pH 8 and 10, respectively. PMPE exhibited similar trends in solubility and EAI as SPI at the corresponding pH values. However, the emulsifying stability indices of SMPE and PMPE were lower than that of SPI. In particular, the fat absorption capacity of SMPE was significantly higher than those of SPI and PMPE, likely because of its higher content of hydrophobic or nonpolar amino acid residues. These results suggest that SMPE and PMPE are promising alternative protein sources for food applications and may promote value-added utilization of plant-derived by-products in the food industry.

In this study, conjugates were prepared via dry heat-induced glycosylation with maltodextrin (MD) to enhance the functional properties of sesame meal protein extract (SMPE). With the progress of conjugation, the specific protein bands of SMPE decreased and new bands appeared in the higher molecular weight range (approximately 170 kDa). The FT-IR spectra confirmed the structural modifications resulting from Maillard reaction-driven covalent bonding between SMPE and MD. The solubility and emulsifying properties—emulsifying activity index (EAI) and emulsifying stability index (ESI)—of the conjugates showed little variation with dry-heat treatment time, but they were significantly influenced by the dextrose equivalent (DE) of MD. Solubility was highest when SMPE was conjugated with MD of DE 4–7 at both 12 h (19.38%) and 24 h (20.54%) and decreased as DE increased. Notably, the three-way ANOVA results showed that the emulsifying properties improved significantly with higher DE of MD. The EAI and ESI of SMPE conjugated with MD of DE 16.5–19.5 increased by 1.52- and 1.41-fold, respectively, when compared with the control SMPE. These findings suggest that the SMPE-MD conjugates have promising potential for applications in food systems that require enhanced emulsifying properties.