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This paper describes the in-plane impact behavior of 3D woven honeycomb sandwich composites comprising glass fiber reinforced epoxy composite. In this study, 3D woven honeycomb structures with similar cell shapes were developed with different cell geometry by varying the cell size, free wall length, bonded wall length, opening angle, and the number of honeycomb layers keeping the overall thickness of the composite constant. The variation of cell geometry was carried out by changing the number of picks in the honeycomb walls. Composite samples were made using VARIM (vacuum-assisted resin infusion method) process. The behavior of the force-displacement curve and the energy-time relationship under impact loading of 100 J were analyzed. The total energy absorption was determined for different cell geometry and the number of layers of the honeycomb composites. The results showed that structural changes in honeycomb composite significantly affect the specific energy absorption. The specific energy absorption increases with a large cell size, less opening angle, higher wall length, and a greater number of layers. [ABSTRACT FROM AUTHOR]

The aim of the study was to assess the influence of year-long training of race walkers on physiological cost and total energy center of mass (CoM). The assessment performed was based on indicating the differences between the resulting energy cost in a group of elite race walkers walking at technical, threshold, and racing speeds calculated by physiological and biomechanical methods before beginning and after finishing a year-long training cycle. The study involved 12 competitive race walkers who had achieved champion or international champion level. Their aerobic endurance was determined by means of a direct method, applying an incremental exercise test on the treadmill. The gait of the participants was recorded using the 3D Vicon analysis system. Changes in mechanical energy amounted to the value of the total external work of the muscles needed to accelerate and lift the center of mass during a normalized gait cycle. The highest influence on the total external work increase for increasing speeds of gait in both examinations was attributed to the changes in the kinetic energy resulting from the center of mass movement. A statistically significant decrease of the mean value of total external work for racing speed was observed in the second examination (p < 0.001). An approx. 8% decrease (NS) of EE energy cost, standardized by body mass and distance covered, was found between the first and second examinations. The energy cost and total external work were significantly differentiated by the walkers' gait speeds (p < 0.05–0.001). The energy cost significantly differed from the total external work at p < 0.001. [ABSTRACT FROM AUTHOR]

Background: Epidemiological research links asthma progression to dietary nonallergic factors, particularly high-calorie intake. However, evidence supporting the relationship with total dietary calorie consumption remains scarce. Objective: This study aimed to explore the potential correlation between asthma occurrence and total dietary energy intake. Methods: A retrospective cross-sectional study of 21,354 US adults collected comprehensive participant data, including demographics, blood parameters, fatty acids, zinc, fiber intake, and asthma outcomes. Statistical analyses included interaction effects analysis, smooth curve fitting, and logistic regression. Results: Of 21,354 participants, 14.77% self-reported asthma diagnosis. After adjusting for confounders, odds ratios (OR) for asthma decreased with higher energy intake: Q2 (OR = 0.77, 95% CI: 0.69–0.86, p <.001), Q3 (OR = 0.66, 95% CI: 0.59–0.75, p <.001), and Q4 (OR = 0.61, 95% CI: 0.53–0.69, p <.001) compared to Q1 (< 17.73 kcal/kg/day). A non-linear (L-shaped) association between energy intake and asthma was observed (p <.001), with a critical threshold around 24 kcal/kg/day, supported by subgroup and sensitivity analyses. Conclusion: This study reveals an L-shaped trend between total energy intake and asthma in US adults, with a significant threshold at approximately 24 kcal/kg/day. [ABSTRACT FROM AUTHOR]

Context: We demonstrate that the minimum of the reaction force curve of a diatomic or polyatomic molecule undergoing bond dissociation is significant in several respects. As has been pointed out in the past, it is the point at which the force opposing dissociation is strongest. It marks the boundary between the primarily structural stage of a bond dissociation (stretching) and the transition region between the stretched bond and independent atoms. We now show that the reaction force minimum is also where the kinetic and potential energy curves tend to change direction abruptly. At this point, the total energy E(R) has increased by about 27% of the dissociation energy, for both diatomic and polyatomic molecules. Methods: Dissociation curves are analyzed at the UHF/daug-cc-pV5Z level of theory using Gaussian 16. [ABSTRACT FROM AUTHOR]

Among the low-dimensional carbon-based systems, bilayer graphene garners great interest. In contrast to monolayer graphene, infinite bilayer graphene displays a gap in the electronic spectrum, establishing a link with semiconducting materials utilized in conventional electronics. Graphene nanosheets (GNS) are used for biological purposes, including drug delivery, illness detection, biosensing, drug targeting treatment, photothermal therapy, and tissue engineering. In this study, bilayer circumcoronene (CC2L) and boron nitride bilayer circumcoronene (BNCC2L) are utilized as carriers for the anticancer drug hydroxyurea (HU) and the effect of impurity phosphorus (PHIS) on the electrical and optical characteristics of all complex structures. We calculated several electronic and optical characteristics using the density functional theory (DFT) method offered by the QuantumATK software package. From the results, adding two phosphor impurity molecules (2PH) to CC2L led to a decreasing energy gap from 0.766 to 0.061 eV and adding two phosphor impurity molecules (2PH) to BNCC2L led to a decreasing energy gap from 4.945 to 1.055 eV. Due to its greater total energy, the HU/2PH-BNCC2L structure became more stable and less reactive than other structures. The HU/1PHIS-CC2L structure exhibits a large absorption peak with a magnitude of 4.08 × 105cm−1 at 1.9 eV in the (xx and yy) directions. The adsorption energy of HU/2PH-CC2L is − 3.036 eV which makes it have more stable complex structures than other nanomaterials, making it more likely to deliver HU molecule than other nanomaterials. [ABSTRACT FROM AUTHOR]

Abstract Background Epidemiological research links asthma progression to dietary nonallergic factors, particularly high-calorie intake. However, evidence supporting the relationship with total dietary calorie consumption remains scarce. Objective This study aimed to explore the potential correlation between asthma occurrence and total dietary energy intake. Methods A retrospective cross-sectional study of 21,354 US adults collected comprehensive participant data, including demographics, blood parameters, fatty acids, zinc, fiber intake, and asthma outcomes. Statistical analyses included interaction effects analysis, smooth curve fitting, and logistic regression. Results Of 21,354 participants, 14.77% self-reported asthma diagnosis. After adjusting for confounders, odds ratios (OR) for asthma decreased with higher energy intake: Q2 (OR = 0.77, 95% CI: 0.69–0.86, p

Modern solid-state physics increasingly focuses on the study of nanomaterials and the development of nanotechnologies. Various theoretical methods and research technologies are actively used to elucidate the significance of experimental results related to the study of solid-state defects. Progress in this field is likely associated with advancements in computer technologies and the development of modern quantum-chemical packages. The obtained spectra reveal a certain number of energy levels in the energy range from –30 to 20 eV. We determine the band structure, density of states, and total energy of NaF nanotubes with parameters (m, n), where m = 4, 5, 6, 8, and n = 1, 2, 3. The characteristics modeling is conducted using the Atomistix ToolKit software package and Virtual NanoLab program. This work presents the results of computer modeling of the density of states and total energy of NaF nanotubes within the framework of density functional theory. The obtained results allow classifying the tubular structures of NaF as quantum dots and contribute to further research into alkali metal halide crystals in nanostructures. [ABSTRACT FROM AUTHOR]

Background: Management of diabetes demands reduction of carbohydrates and moderation of total calories, fats and protein to promote weight loss while controlling postprandial blood glucose. Hospitals prescribe menus to diabetic patients to achieve these reasons. Whether these menus provide meals that help improve diabetes outcome remains unknown. Aim: Therefore, this study assessed six menus from six different referral hospitals in Malawi. Method: We formulated three separate diets (n = 3) encompassing breakfast, 10 am snack, lunch, 3 pm snack and super that a diabetic person would consume in a day as prescribed by each menu. We developed nutritionally adequate meals based on foods listed on the menu. We calculated, using the Malawi Food Composition Table (MFCT), total available carbohydrates, energy, protein, total fats, SAFA, MUFA and PUFA that each diet provides. We averaged the nutrient content from the three diets. Results: Menus from QECH and ST Joseph Mission Hospital provide significantly higher total carbohydrates (p = 0.001), total energy (p = 0.000) and fats (p = 0.01) but contain similar proteins (p = 0.761). The proportion of energy from carbohydrates for all the menus is very high and ranges from 68–81% while protein and fat proportions are lower and range from 7–16% and 7–20%, respectively. Conclusion: These menus have high propensity to increase postprandial blood glucose and promote weight gain that could be harmful to a diabetic person. All the menus deviate from a somehow recommended energy contribution of approximately 50:25:25 from carbohydrates, fat and protein, respectively. [ABSTRACT FROM AUTHOR]

An analysis of modern scientific ideas has shown that there is no consensus on the definition of the energy of organic matter in ecosystems, and current methods need a detailed elaboration. This article presents the results of the application of the method of a component-by-component assessment of the amount of energy of the organic matter of the ecosystem using the energy approach. The methodology is the determination of energy indicators for pools of phytomass, mortmass, and soils, as well as the study of the main energy sources involved in the formation of the ecosystem. The research was carried out on the first above-floodplain terrace of the right coast of the Ushayka River in Tomsk oblast. The materials for testing the technique were obtained in the field on a scale at the level of landscape facies. In laboratory conditions, the energy potential was calculated by methods of determining the heat of combustion during direct combustion using a calorimeter for fractions of model wood, phytomass, and mortmass. According to the results of the study, the main sources of energy for the ecosystem are the sun and precipitation, which provide 3.357 × 109 J/m2/year. The total amount of energy of the organic matter of the ecosystem at the moment, representing its energy potential, is 1.523 × 1013 J/ha, of which the energy potential of grass cover phytomass is 55.01 × 109 J/ha, that of common pine tree stands is 1.29 × 1013 J/ha, that of mortmass is 43.058 × 109 J, and that of soils is 6.754 × 1012 J. The results of the work carried out can be applied to agriculture, territorial zoning, monitoring, recreation, and creation of special ecological zones. [ABSTRACT FROM AUTHOR]

Using a new approach to the problem of calculating the total energy of a diatomic molecule in terms of the first-order perturbation theory, it was shown that the potential energy screening function is a solution to a diffusion-type equation in which the role of a time variable is played by the mean square of the amplitude of collective vibrations of electrons per one degree of freedom. The total energy of two carbon atoms in the ground and excited states was calculated. [ABSTRACT FROM AUTHOR]

Within the framework of a new approach to the problem of calculating the total energy of a diatomic molecule in first-order perturbation theory, it is shown that the potential-energy screening function is a solution to a diffusion-type equation in which the role of a time variable is played by the mean square of the amplitude of collective oscillations of electrons per degree of freedom. The total energy of a diatomic nitrogen molecule in the ground and excited states is calculated in first-order perturbation theory using tabulated eigenfunctions and eigenvalues of the energy of isolated atoms, which approximate solutions of the Hartree–Fock equation. The reliability of the numerical method for calculating the total energy of a diatomic nitrogen molecule in first-order perturbation theory is verified using an exact solution with an atomic form factor for the screened Coulomb potential. The new approach to the problem of calculating the total energy of a diatomic molecule in first-order perturbation theory does not contain free parameters, but is based on the numerical solution of a system of nonlinear equations. [ABSTRACT FROM AUTHOR]

The present paper deals with a comprehensive investigation of the wettability of the platinum surface when subjected to water nanodroplets using molecular dynamics simulation. To evaluate the wettability of a solid-liquid interface, the contact angle was analyzed varied with respect to time, temperature, and energy between the atoms and the surfaces using large-scale atomic/molecular massively parallel simulator. It is worth noting here that the research reveals a significant change in the contact angle which goes from a prominent 147.158° to a more favorable 123.65° in an incredibly brief period of 2 to 200 fs. That dynamic change highlights the platinum surface significant improvement in wettability and sheds light on the kinetics of solid-liquid interactions. The result also shows that the ambient temperature reduced from 320 to 285.5 K, and the droplet temperature increased from 2.43 to 170 K in the same temperature range along with a decrease in the total energy. This study emphasizes the progressive aspect of wettability by revealing that, as time increases, the contact angle consistently reduces. This shows the perspective on how the platinum surface becomes increasingly amenable to wetting by H2O nanodroplets. [ABSTRACT FROM AUTHOR]

Background: The relationship between fruit, whole grain, and total energy consumption and the gut microbiome in the Chinese population remains unclear. Objective: We investigated the relationship between intakes of fruits, whole grains, and energy, and the diversity and composition of gut microbiota. Design: This cross-sectional study included 167 subjects aged 40-75 years who underwent colonoscopy at Nankai Hospital in Tianjin, China. Each of the participants completed a personal history questionnaire, a 7-day dietary record, and donated a fecal sample. The V3-V4 hypervariable region of the bacterial 16S rRNAgene was amplified and sequenced using Illumina Novaseq. The relationship between diet and gut microbiota was evaluated in terms of both the overall composition and the abundance of specific taxon. Results: Fruits intake was positively related to the abundance of Bacilli, Porphyromonadaceae, Streptococcaceae, Parabacteroides, Streptococcus, and Bilophila in fecal samples. Higher whole grains intake was associated with higher microbial diversity, as measured by Shannon, Simpson, and Chao1 indices. Specifically, there was a significant increase inthe relative abundance of Lachnospiraceae and a decrease in Actinobacteria with increased whole grains intake. Moreover, higher intake of total energy was associated with a lower abundance of Anaerostipes and a higher abundance of Lactobacillales and Acidaminococcus. Conclusion: Whole grains intake was positively associated with gut microbial diversity. Fruits and total energy intake were related to the abundance of specifictaxon (e.g., Bacilli and Acidaminococcus). These findings highlight the potential importance of dietary interventions for modulating gut microbiota composition and promoting overall health.

The aim of the study was to assess the influence of year-long training of race walkers on physiological cost and total energy center of mass (CoM). The assessment performed was based on indicating the differences between the resulting energy cost in a group of elite race walkers walking at technical, threshold, and racing speeds calculated by physiological and biomechanical methods before beginning and after finishing a year-long training cycle. The study involved 12 competitive race walkers who had achieved champion or international champion level. Their aerobic endurance was determined by means of a direct method, applying an incremental exercise test on the treadmill. The gait of the participants was recorded using the 3D Vicon analysis system. Changes in mechanical energy amounted to the value of the total external work of the muscles needed to accelerate and lift the center of mass during a normalized gait cycle. The highest influence on the total external work increase for increasing speeds of gait in both examinations was attributed to the changes in the kinetic energy resulting from the center of mass movement. A statistically significant decrease of the mean value of total external work for racing speed was observed in the second examination (p < 0.001). An approx. 8% decrease (NS) of EE energy cost, standardized by body mass and distance covered, was found between the first and second examinations. The energy cost and total external work were significantly differentiated by the walkers’ gait speeds (p < 0.05–0.001). The energy cost significantly differed from the total external work at p < 0.001.

LaNi 5 is a commercial hydrogen storage alloy with great potential. But its performance still needs to be optimized to meet the standard proposed by the US Department of Energy. Element substitution is a very important method to optimize the performance of hydrogen storage alloys, especially suitable for AB 5 alloys. As a novel method to produce nanocrystalline hydrogen storage alloys, mechanical alloying is also often applied to optimize the properties of hydrogen storage alloys. In this work, first of all, the simulation method based on first principles is applied to predict the performance of 8 elements substituting Ni respectively, and select the most suitable element to substitute Ni. Then the phase composition characterization, hydrogen storage performance tests and electrochemical performance tests were carried out. It was found that mechanical alloying can greatly improve the hydrogen storage performance of LaNi 5 , and different ball milling times can bring about different performance changes. After adding Cr to the ball-milled LaNi 5 , the properties of the formed LaNi 4 Cr were further improved. • Calculation of total energy was applied to select substitution atoms. • Among 8 elements, Cr was the best one to substitute Ni. • Mechanical alloying was used to synthesis LaNi 5. • The particle size and strain rate were calculated from XRD patterns. • The two methods greatly improve the properties of LaNi 5. [ABSTRACT FROM AUTHOR]

An accurate total energy calculation is essential in materials computation. To date, many tight-binding (TB) approaches based on parameterized hopping can produce electronic structures comparable to those obtained using first-principles calculations. However, TB approaches still have limited applicability for determining material properties derived from the total energy. That is, the predictive power of the TB total energy is impaired by an inaccurate evaluation of the repulsive energy. The complexity associated with the parametrization of TB repulsive potentials is the weak link in this evaluation. In this study, we propose a new method for obtaining the pairwise TB repulsive potential for crystalline materials by employing the Chen-Möbius inversion theorem. We show that the TB-based phonon dispersions, calculated using the resulting repulsive potential, compare well with those obtained by first-principles calculations for various systems, including covalent and ionic bulk materials and two-dimensional materials. The present approach only requires the first-principles total energy and TB electronic band energy as input and does not involve any parameters. This striking feature enables us to generate repulsive potentials programmatically. [ABSTRACT FROM AUTHOR]

In 1986, Willett and Stampfer (Am J Epidemiol. 1986;124(1):17–27) propelled the nutritional epidemiology field forward by publishing a commentary emphasizing the importance of analyzing diet in relation to total energy intake in epidemiologic analyses of diet and disease, detailing the value of accounting for body size, physical activity, and metabolic efficiency in diet-disease analyses via energy intake adjustment. Their publication has since been cited over 2,886 times and has inarguably advanced methodology for studying diet-disease associations, with most nutritional epidemiology studies standardly including some form of energy adjustment. However, there remains debate regarding the best scenarios and methods for energy adjustment. The goals of this commentary are to provide an updated review on factors that account for interindividual differences in energy intake, provide a balanced discussion regarding the considerations for or against adjustment for energy intake, and provide an updated examination of the commonly employed methods for the analysis of nutrient-disease associations. The principles of energy adjustment continue to be relevant nearly 25 years later, as it remains a critical method to account for potentially confounding interindividual variations in body size and physical activity. [ABSTRACT FROM AUTHOR]

The electronic properties of the T-Greaphene nanosheet (T-GNS) are developed by using different concentrations of the Al and Si impurities. The results demonstrated the electronic band gap is reduced and the shape of the DOS is altered via utilizing various concentrations of Al and Si impurities, excepted the Al4Si4-doped T-GNS has an opposie thing. For the stability, we detected that the T-GNS became more stable and lower reactive due to the total energy is increased with these impurities. Moreover, the results have shown that the AlSi-doped T-GNS, Al2Si2-doped T-GNS, and Al4Si4-doped T-GNS have the anti-ferromagnetic properties. Also, the pristine T-GNS and AlSi-doped T-GNS have an open shell systems, which means there are spin up and spin down, respectively. Moreover, the nature bond is dictated by adding any impurity of Al and Si impurities. By using these impurities, the T-GNS become more solid due to it has a higher hardness, which required higher excitation energy to transfer electrons. For optical properties this study has discovered that all structures out of the visible light region. Moreover the λmax takes values from 1146.507 nm for Al2Si2-doped T-GNS in site (1)(s3) to 16,845.562 nm for Al4Si4-doped T-GNS (s1). Also, the excitation energy increased compared with T-GNS. In brief, the electronic and optical properties depend on the site and concentrations of Al and Si impurities.

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Surface wettability plays an essential role in bubble nucleation. In this article, the molecular dynamics simulation method is conducted to study the bubble nucleation of liquid argon film on a copper substrate with hybrid wettability. Unlike the constant temperature boundary condition, the variable temperature boundary condition is adopted to simulate the bubble nucleation process. The temperature gradually increases from 86 K to 200 K, so the substrate temperature at the bubble nucleation time can be obtained. The potential energy, kinetic energy, total energy, and temperature during bubble nucleation are analyzed. The results show that bubble nucleation occurs when the kinetic energy exceeds the potential energy barrier. A method is used to capture the bubble nucleation process, described from the perspective of total energy. The initial nucleation time of the hybrid wettability surface gradually reduces with the rise of the proportion of the hydrophilic part. Compared with the pure hydrophilic surface, the hybrid wettability surface can achieve faster initial nucleation time and lower nucleation temperature by altering the proportion of wettability. The potential energy and temperature distribution reveal the microscopic mechanism of bubble nucleation. This study provides theoretical guidance for the design of cooling surfaces of micro/nanoelectronic devices. [ABSTRACT FROM AUTHOR]

This article primarily explores the electronic properties and geometrical structures of a Ge13 cluster with single-atom doped X (Ta, Fe, Pd and Co) based on density functional theory (DFT). The spin-polarized exchange correlation functional was used to analyze the isomers of doped Ge12X clusters generally to classify the stable structures. This work explores the diverse doping positions and magnetic parameters on each isomer. The analysis indicates that the Ta, Fe, Pd and Co doped Ge12X with cuboctahedral and decahedral structures have the lowest energy structures, whereas Ge13 mainly favors a cuboctahedral structure. The different doping atom positions contribute to strengthening the stability of the Ge12X cluster structures. Moreover, the Bader charge analysis of doped Ge12X reveals −0.3e accumulated for the dopant Ta as an electron donor in the cluster while other dopants tend to accept the electrons and the HOMO–LUMO gap is notably reduced. Density of states (DOS) analysis indicates that doped Ge12X is semimetallic and is capable of holding magnetism. In general, this work summarizes the relevance of inserting the doped atom at a strategic position on the Ge11X2 cluster in finding the stable structure. [ABSTRACT FROM AUTHOR]

We ask whether the energy of a π-orbital, εi, can equal e or π, or some rational multiple of either number? From the molecular and mathematical framework of Hückel molecular orbital theory (HMO), this question is answered in the negative. [ABSTRACT FROM AUTHOR]

We present netDFT: JAVA Density Functional Theory, a Java program to solve the KSDFT equation using the pseudopotential method to get a solid’s band structure and total energy. netDFT provides a framework for testing XC functional prototypes for academics. netDFT can also be used as a tool to study the algorithms used to solve KSDFT equations. The calculation of the total energy and band structure of netDFT agrees with the results obtained by Quantum Espresso.

Electronic and optical properties of the graphene nanoflakes (GNFs) are investigated with and without various concentrations of S impurities in different locations via a time-dependent density-functional theory (TDDFT) calculation. Results showed very fascinating results. Results showed up that the pristine GNFs have a semiconductor behavior. S-doped GNFs also have a semiconductor behavior with reducing electronic band gap value. The band gap of the GNFs is reduced by altering the location of the S impurity. Correspondingly, it is decreased by increasing the concentration of the S impurity. Also, when the concentration of S goes up, the total and formation energies are increased with negative sign, which means the structures became more stable and exothermic process. Our findings show λ max also depends on the site and concentrations of S impurity, which is taken value from 474.54 to 12514.22 nm for pristine and 3S-PNG (a) cases, respectively. Correspondingly, we observed that the sturdy absorption peaks (pristine, 1S-PNG (a), 4S-PNG (b)) cases are in the visible light and near-infrared region. In brief, the optoelectronics properties of the GNFs are dependent on the position and concentrations of S impurities.

Improving the quality of stainless-steel hinges significantly on precisely managing decarburisation within the argon-oxygen decarburisation (AOD) process. This study introduces a dynamic model capable of accurately predicting the composition and weight of steel and slag. To thoroughly investigate the refining processes, a systematic analysis was conducted, integrating three essential adiabatic zones within the AOD converter: the continuous stirred-tank reactor, slag bath and plug flow reactor, supported by circulation and recirculation streams. FactSageTM software and its macro facility were utilised to identify the different phases present in steel and slag. This dynamic model not only forecasts critical process parameters like temperature, composition and volume of multiple phases but also enables the prediction of the final chromium content for different initial carbon inputs, specifically at 2%, 1.5% and 1 wt.%. By comparing the model's predictions with actual plant data, it was observed that the transient compositions of steel and slag exhibited consistency, confirming the model's validity and reliability in simulating AOD refining processes. [ABSTRACT FROM AUTHOR]

Presented in this paper is theoretical studying redistribution of electric charges in the layer of a tetragonal plate of yttrium-stabilized zirconia based on the position of yttrium atom in the crystal lattice for both dry and humid ambient atmosphere. The density functional theory with local density approximation (DFT-LDA) has been employed for this modelling. Calculations have been performed for layer-by-layer electron density distribution over the thickness of an infinite plate 001 of yttrium-stabilized tetragonal zirconium dioxide, which show that a change in the position of stabilizing yttrium atom and its symmetry in the layer leads to changing the total energy of zirconium dioxide both for the dry 001 surface and for the hydrated one. It has been ascertained that the surface charge density for the 001-surface of an infinite tetragonal zirconia plate increases in proportion to the degree of hydration. [ABSTRACT FROM AUTHOR]

The turbulent wake generated by a rotor interacting with outlet guide vanes (OGVs) is one of the dominant broadband noise sources in a turbofan engine. An accurate representation of the rotor wake turbulence is therefore important for the reliable prediction of the rotor-OGV interaction noise. This paper presents a turbulence synthesis method based on a spectral proper orthogonal decomposition (POD) representation of the turbulent wake that aims to reproduce the desired velocity cross-spectrum along the OGV leading edges where noise is emitted due to turbulence-OGV interaction. The method is first developed in the frequency domain based on a superposition of vortical modes with the appropriate amplitudes. Fourier modes and POD modes are proposed to represent the two-point velocity spectrum. The POD modes will be shown to be highly efficient in reconstructing the flowfield near the tip region where a large-scale coherent structure is present. An extension of the POD synthetic turbulence method to the time domain is also presented by means of a white noise filtering technique to allow the generation of time-varying velocity signals with the desired cross-spectral characteristics. The results show that both the one- and two-point statistics can be closely reproduced. The proposed frequency-domain POD synthetic turbulence method for fan broadband noise prediction for a realistic fan-OGV configuration is illustrated by the use of a frequency-domain linearized Navier-Stokes solver to predict the sound power radiation due to each vortical mode. Overall sound power levels at a number of discrete frequencies are predicted and compared against measured noise data. Agreement is found to be within the uncertainty of the noise sound power measurement. [ABSTRACT FROM AUTHOR]

In this paper, independent optimization operation strategy and global optimization operation strategy for cascaded hydropower plants are studied in aim to maximize total power energy of all the cascaded hydropower plants. In the first strategy, upstream hydropower plants are optimally operated first and then obtained results are used to operate downstream hydropower plants. On the contrary, all hydropower plants are operated simultaneously in the second strategy. The two strategies are accomplished by using an improved cuckoo search algorithm (ICSA) together with particle swarm optimization (PSO), cuckoo search algorithm (CSA), Salp Swarm Algorithm (SSA), sunflower optimization algorithm (SFO), equilibrium optimizer (EO) and marine predator algorithm (MPA). Result comparisons can lead to the evaluation that the first strategy can bring more benefits for upstream plants whereas the second strategy is more suitable for downstream hydroelectric plants. For the purpose of maximizing total energy of all plants, the second strategy is more effective than the first strategy. Compared to PSO, CSA, SSA, SFO, EO and MPA, ICSA method finds higher energy with a highly faster speed. Thus, the paper suggests the second strategy should be executed for hydroelectric plants in cascaded reservoir systems and ICSA can be a favorable method for implementing the recommended optimization operation strategy. [ABSTRACT FROM AUTHOR]

The present paper describes a numerical study of shock wave reflection from rough-surface wedges. For validating the reliability of the applied numerical scheme it is first employed for simulating available experimental findings. Thereafter, the effect of the wedge surface roughness on the pattern of the reflected shock wave shape and on the post shock flow is investigated by comparing it to a similar smooth-surface case. It is shown that the presence of roughness changes both the reflected shock wave's geometry and the prevailing pressure acting on the wedge surface. In addition, at high wedge angles there is a kinked shock wave between the incident shock wave and the reflected shock wave. This wave structure is unique for the rough-surface wedge case, and its length increases with the increase in the wedge angle. [ABSTRACT FROM AUTHOR]

Tomas M Grippo,1,2 Facundo G Sanchez,1,3 Joan Stauffer,4 George Marcellino4 1Department of Glaucoma, Grippo Glaucoma & Cataract Center, Buenos Aires, Argentina; 2Department of Ophthalmology, Hospital Alemán, Buenos Aires, Argentina; 3Glaucoma Research, Legacy Devers Eye Institute, Portland, OR, USA; 4Glaucoma, Iridex Corp., Mountain View, CA, USACorrespondence: Tomas M GrippoDepartment of Glaucoma, Grippo Glaucoma & Cataract Center, Av. Luis Maria Campos 250, 1st Floor, Suite O, Buenos Aires, ArgentinaTel +54 11 4774-9004Email tomasgrippo@yahoo.comAbstract: Since the first peer-reviewed publication on MicroPulse® Transscleral Laser Therapy (MP-TLT) in 2010, authors worldwide have used a wide range of treatment parameter combinations with varying clinical efficacy in terms of the magnitude of intraocular pressure reduction, success rate, durability, and safety profile. This has made it difficult to determine the proper parameters necessary to optimize efficacy and safety, and has made comparison of results from one investigation to another difficult. The first goal of this paper is to explain and highlight the impact of the choices of exposure time and the number of sweeps per hemisphere in terms of “sweep velocity” on energy delivery to the eye. These treatment parameters are underreported in the literature. The second goal is to introduce fluence as a “dose” metric, that combines all the treatment parameters and constants into a single number. Fluence may be a better light-dose metric and a more reliable indicator of clinical outcomes compared to total energy.Keywords: micropulse, glaucoma, fluence, total energy, sweep velocity

The energy of a sidigraph is defined as the sum of absolute values of real parts of its eigenvalues. The iota energy of a sidigraph is defined as the sum of absolute values of imaginary parts of its eigenvalues. Recently a new notion of energy of digraphs is introduced which is called the total energy of digraphs. In this paper, we extend this concept of total energy to sidigraphs. We compute total energy formulas for negative directed cycles and show that the total energy of negative directed cycles with fixed order increases monotonically. We introduce complex adjacency matrix to give the integral representation for total energy of sidigraphs. We discuss the increasing property of total energy over some particular subfamilies of $S_{n,h}$, where $S_{n,h}$ contains $n$-vertex sidigraphs with each cycle having length $h$. Using the Cauchy-Schwarz inequality, we find upper bound for the total energy of sidigraphs. Finally, we find the class of noncospectral equienergetic sidigraphs.

Diet is one of the modifiable risk factors for cognitive decline. However, human studies on total energy intake and cognitive function have remained limited and studies on fat intake and cognitive decline have been inconclusive. We aimed to examine prospectively the associations between long-term intakes of total energy and fat with subsequent subjective cognitive decline (SCD). A total of 49,493 women from the Nurses' Health Study and 27,842 men from the Health Professionals Follow-up Study were followed for over 20 years. Average dietary intake was calculated based on repeated food frequency questionnaires (SFFQs), and Poisson regression was used to evaluate associations. Higher total energy intake was significantly associated with greater odds of SCD in both cohorts. Comparing the highest with lowest quintiles of total energy intake, the pooled multivariable-adjusted ORs (95% CIs) for a 3-unit increment in SCD, corresponding to poor versus normal SCD, was 2.77 (2.53, 2.94). Each 500 kcal/day greater intake of total energy was associated with 48% higher odds of SCD. Intakes of both total fat and total carbohydrate appeared to contribute to the positive association between total energy intake and SCD although for the same percent of energy, the association was stronger for total fat. In conclusion, higher intakes of total energy, total fat, and total carbohydrate were adversely associated with SCD. Whether these associations are causal is unclear and deserves further investigation. [ABSTRACT FROM AUTHOR]

The structure of the overlapping interface in ξ´-Al-Ni-Rh was determined by calculating the total energy of super lattices containing defect structures using the modified analytic embedded-atom method (MAEAM). The structure analyses indicated that only two equivalent types of interfaces exist, which are defined as the PF and PI types. Calculation of the PF- and PI-type super cells indicated that the interface between the close-packed P layer and the slightly puckered I layer has a lower energy and may be a static interface. Although the PI-type overlapping interface may seriously corrupt decagonal cluster columns in the approximant phase, it causes relatively less corruption of the metallic bonds than the PF mode. The total energies of the three types of super lattices caused by different displacement vectors between the two domains found in ξ´-Al-Ni-Rh were also calculated. The domain boundary translated with a vector of r =a + c is the most static state among the three type super lattices from energy perspective.

Clinical Scenario: Tendinopathies plague many active individuals, causing pain and reducing sport activity by decreasing range of motion and strength. There are many modalities that have been used to treat pain associated with chronic inflammation, such as ultrasound, moist heat packs, and electrical stimulation. Low-level laser therapy (LLLT) is one such modality. Potential benefits of managing pain associated with tendinopathies have been investigated using LLLT. Cellular respiration and metabolism are thought to be increased by LLLT acting on the mitochondrial cytochromes. The effects LLLT may have on cellular activity could increase blood flow to progress the healing process by reducing the pain-spasm cycle. The purpose of this critically appraised topic is to identify the clinical effectiveness of LLLT on pain associated with tendinopathy and to identify the parameters used to achieve statistically and clinically relevant pain outcomes. Focused Clinical Question: What is the effect of LLLT on pain associated with tendinopathy? Clinical Bottom Line: Although LLLT significantly decreases pain from baseline, its use may be no better than placebo or traditional treatments such as ultrasound, moist heat packs, electrical stimulation, or therapeutic exercise to reduce pain associated with tendinopathy. Total accumulated joules across the treatment sessions may need to be taken into account as a parameter. [ABSTRACT FROM AUTHOR]

Since the first peer-reviewed publication on MicroPulse® Transscleral Laser Therapy (MP-TLT) in 2010, authors worldwide have used a wide range of treatment parameter combinations with varying clinical efficacy in terms of the magnitude of intraocular pressure reduction, success rate, durability, and safety profile. This has made it difficult to determine the proper parameters necessary to optimize efficacy and safety, and has made comparison of results from one investigation to another difficult. The first goal of this paper is to explain and highlight the impact of the choices of exposure time and the number of sweeps per hemisphere in terms of "sweep velocity" on energy delivery to the eye. These treatment parameters are underreported in the literature. The second goal is to introduce fluence as a "dose" metric, that combines all the treatment parameters and constants into a single number. Fluence may be a better light-dose metric and a more reliable indicator of clinical outcomes compared to total energy. [ABSTRACT FROM AUTHOR]

Phthalocyanine derivative nanostructures are highly organized organometallic structures that exhibit two-dimensional polymeric phthalocyanine frameworks. These conjugated macrocycles, characterized by their versatility, have gained significant attention in the development of technologies due to their structural resemblance to naturally occurring porphyrin complexes. The growth of these structures is analyzed to explore their topological characteristics by employing connectivity-based bond additive descriptors. The generated results are utilized in conjunction with the selected samples from Chem3D software to establish predictive models for calculating log P , log S , polar surface area, and total energy. Moreover, the structural complexity of these frameworks is compared through classical, spectral, and topological index based entropies, with the identification of the advantages and disadvantages associated with each of the three approaches. [Display omitted] [ABSTRACT FROM AUTHOR]

Purpose: theoretical substantiation of the method for calculating the total energy in suction and pressure pipelines of the main units at reclamation pumping stations to prevent unsteady processes and water hammer. Materials and methods: research and calculations were carried out at the pumping station “Mezhdurechye”, “Management of Stavropolmeliovodkhoz”, equipped with three main centrifugal pump units and two pressure pipelines. To calculate the total energy in the suction and pressure pipelines of the main pump, the entire pipeline network is divided into three sections: the first one is the intake, the second one is the distribution and the third one is the main pressure pipeline. For each section from 0.25 to 3.41 с²/м⁵ and the entire network 4.65 с²/м⁵, specific resistances were determined, the actual total head losses from 2.50 to 29.32 m when three units were fed into two pressure pipelines from 0.3 to 7.2 m³/s and hydraulic parameters of each unit: head (90.2 m), flow (2.67 m³/s), power (1585 kW), admissible vacuum suction head (4.2 m) at efficiency (88 %), with various operating options of the pumping station. Results: as a result of the research, the procedure for determining the total energy in the suction and pressure pipelines of the main units at reclamation pumping stations was determined, the total energy was calculated depending on the number of running pumping units: for suction pipelines from plus 0.1 to minus 1.5 m, for pressure pipelines from 75.79 to 86.34 m, which allows calculating the required hydraulic parameters of the booster pump used to close the back flow valve in the pressure pipelines of the main pump, to prevent backflow of water and water hammer before stopping the main pump. Conclusions: the above method is recommended for calculating in case of necessity the prevention of water hammer in the network by closing the back flow valve with a booster pump for reclamation stations equipped with centrifugal pumps with a maximum possible head of 120–130 m, in a complex operational option – the maximum number of pumps per one pipeline.

Fullerenes are cubic polyhedral molecules made of carbon atoms. They have attracted much attention in the chemical and the mathematical literature. In the present paper, we compare the orbit and Hosoya entropies with the total energy of some classes of fullerenes to determine a correlation between these measures. Besides, we investigate the correlation between eigenvalues-based entropy and the total-energy of more than 400 fullerenes. Our findings reveal that the correlation between the adjacency energy, the eigenvalue-entropy, the total energy, the orbit-entropy, and the Hosoya-entropy of selected fullerenes with distinct symmetry groups is approximately equal to one. [ABSTRACT FROM AUTHOR]

The energy of a sidigraph is defined as the sum of absolute values of real parts of its eigenvalues. The iota energy of a sidigraph is defined as the sum of absolute values of imaginary parts of its eigenvalues. Recently a new notion of energy of digraphs is introduced which is called the total energy of digraphs. In this paper, we extend this concept of total energy to sidigraphs. We compute total energy formulas for negative directed cycles and show that the total energy of negative directed cycles with fixed order increases monotonically. We introduce complex adjacency matrix to give the integral representation for total energy of sidigraphs. We discuss the increasing property of total energy over some particular subfamilies of Sn,h, where Sn,h contains n-vertex sidigraphs with each cycle having length h. Using the Cauchy-Schwarz inequality, we find upper bound for the total energy of sidigraphs. Finally, we find the class of noncospectral equienergetic sidigraphs. [ABSTRACT FROM AUTHOR]

The structure of the overlapping interface in ξ'-Al-Ni-Rh was determined by calculating the total energy of super lattices containing defect structures using the modified analytic embedded-atom method (MAEAM). The structure analyses indicated that only two equivalent types of interfaces exist, which are defined as the PF and PI types. Calculation of the PF- and PI-type super cells indicated that the interface between the close-packed P layer and the slightly puckered I layer has a lower energy and may be a static interface. Although the PI-type overlapping interface may seriously corrupt decagonal cluster columns in the approximant phase, it causes relatively less corruption of the metallic bonds than the PF mode. The total energies of the three types of super lattices caused by different displacement vectors between the two domains found in ξ'-Al-Ni-Rh were also calculated. The domain boundary translated with a vector of r = 1/2 a + 1/τ2 c is the most static state among the three type super lattices from energy perspective. [ABSTRACT FROM AUTHOR]

We prove a support theorem for the Dunkl spherical mean operator. The proof relies on the decay of the total energy of the solutions to Euler-Poisson-Darboux type equations. [ABSTRACT FROM AUTHOR]

By exploring the effects of energy and velocity under different inlet speeds and abrasive concentrations, different inlet boundary conditions were selected for numerical analysis, and the intrinsic properties of the solid–liquid two-phase abrasive flow research and development calibre pipes were explored. The influence of law and process characteristics of solid–liquid two-phase abrasive flow is discussed. The fourth-order variable diameter pipe is taken as the research object. It is concluded that the inlet velocity is increased, the total energy and kinetic energy of the abrasive grains are also increased, and the total energy and kinetic energy are increased. The more intensely the abrasive grains collide with the workpiece wall, the more favourable is the effect of the abrasive flow on the wall surface finishing, and the increase of the abrasive concentration. The number of collisions of the disordered abrasive grains on the wall surface is increased, which is more conducive to the wall surface. The finishing process provides theoretical reference and technical support for the engineering application of solid–liquid two-phase abrasive flow.

Abstract It is the purpose of this paper to provide a comprehensive documentation of the new NCAR (National Center for Atmospheric Research) version of the spectral element (SE) dynamical core as part of the Community Earth System Model (CESM2.0) release. This version differs from previous releases of the SE dynamical core in several ways. Most notably the hybrid sigma vertical coordinate is based on dry air mass, the condensates are dynamically active in the thermodynamic and momentum equations (also referred to as condensate loading), and the continuous equations of motion conserve a more comprehensive total energy that includes condensates. Not related to the vertical coordinate change, the hyperviscosity operators and the vertical remapping algorithms have been modified. The code base has been significantly reduced, sped up, and cleaned up as part of integrating SE as a dynamical core in the CAM (Community Atmosphere Model) repository rather than importing the SE dynamical core from High‐Order Methods Modeling environment as an external code.