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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]

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

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.

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.

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 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.

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]

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.

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.

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.

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]

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.

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 FROM AUTHOR]

This Letter reports a method to obtain fine-grained energy consumption analysis of programs running on the low-power internet of things (IoT) devices. In the energy estimation domain, most state-of-the-art solutions focus on the coarse-grained approach to monitor the energy consumption of a device or an application. However, few solutions addressed energy monitoring to analyse fine-grained energy consumption of a program, especially for IoT appliances. Therefore, the authors present a fine-grained gem5-based energy profiling tool to help developers to evaluate the energy efficiency of hot spots in their programs. The authors demonstrate its usability by applying it to profiling garbage collection and property lookup in Jerryscript, a JavaScript engine specifically designed for resource-constrained IoT devices, and discover that these two operations are consuming, as they account for 17.67 and 12.26% of total energy, respectively. Therefore, this tool can aid the developers to gain insight into the energy efficiency of their software. [ABSTRACT FROM AUTHOR]

This study presents the investigation of benefits obtained in a mirror integrated standalone photovoltaic (PV) test system of 0.3 kW capacity. The enhancement of energy extraction is possible only through fixing the mirror at an optimal angle facing towards the PV panel. Hence, the optimal condition for the maximum energy extraction in a year at a specific location is derived and presented considering the total irradiation falling on the panel. A detailed estimation on performance indices and feasibility analysis for the mirror integrated solar PV system (MISPVS) is carried out for one year from May 2018 to April 2019 for the test system with and without mirror arrangement. The total energy generated from the MISPVS during the monitoring period is found to increase from 359.10 kWh to 468.10 kWh which is around 130.3% when compared with the traditional solar PV system (TSPVS). Finally, the experimental results show that the system efficiency and capacity utilisation factor of the proposed system is enhanced to 13.09 and 17.81%, respectively. [ABSTRACT FROM AUTHOR]

In this work, within the framework of the density functional theory, the transport properties of a single-electron transistor (SET) based on metallofullerenes Me@C60 (Me  Li, Na, K) were investigated by simulation. The optimization of Li@C60, Na@C60, K@C60 molecules was carried out using the Perdew-Burke Ernzerhof (PBE) exchange-correlation functional and the generalized gradient approximation (GGA), which allows the most accurate description of such structures. Electrostatic difference potential, molecular energy spectrum, and total energy of a SET based on Me@C60 were calculated. It was found that a SET based on K@C60 is more stable than other considered SETs based on C60, Li@C60, Na@C60. The dependences of the total energy of molecules Me@C60 (Me  Li, Na, K) on their total charge are determined, as well as the dependences of the total energy on the gate voltage Me@C60-SET. Due to the instability of the state of small molecules with additional electrons of more than two, during the simulation, the values of – 2, – 1, 0, 1, 2 were chosen as the total electric charges for each molecule. It is shown that the energy of a negatively charged metallofullerene under consideration is lower than that of a neutral one, and vice versa, the energy of a positively charged metallofullerene is greater than that of a neutral one. It was found that at negative transistor gate voltages, positive charge states (+ 1, + 2) are more stable compared to negative charge states (– 1, – 2) due to a shift in the HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) with a change in gate voltage. The stability diagrams of SETs based on С60, Me@C60 were analyzed, and it was also shown that the area of the Coulomb diamond SET on the stability diagram depends on the radius of the encapsulated atom. The results obtained can be useful in the calculation of new types of SETs based on metallofullerenes. [ABSTRACT FROM AUTHOR]

Consider the Ising model on ([1; 2N]x[1; 2M])∩ℤ² at critical temperature with periodic boundary condition in the horizontal direction and free boundary condition in the vertical direction. Let EM,N be its total energy (or Hamiltonian). Suppose M is a function of N satisfying M ≥ N/(ln N)α for some α ∈ [0,1). In particular, one may take M = N, We prove that EM,N + 4√2MN -- (4/π)N ln N/√(32/π) M N ln Nconverges weakly to a standard Gaussian distribution as N →∞. [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., Competing Interests: The authors declare no conflict of interest. This research was supported by the National Natural Science Foundation of China (grant No. 82003533) and the CNS-ZD Tizhi and Health Fund (grant No. CNS-ZD2020-82)., (© 2023 Yixiao Wang et al.)

• A strong correlation between minima total energies and maxima band gaps in LDA-½. • Identification of the energy term ∫ρLDA V S that recovers the LDA groundstate energy. • A fast way to calculate the groundstate energy-restoring term ∫ρLDA V S from LDA-½. • Band gap correction by derivatives of non-self-consistent total energy calculations. The established modus operandi on the application of the LDA-½ quasi -particle approximation methodology is to optimize the cutoff radius of the electrostatic self-energy function, in order to be applied inside the infinite crystal model. Once determined, this cutoff radius properly truncates the long-ranged self-energy function originated by the procedure of removing the undesired self-energy of electrons (or holes), responsible for most of excited-states pathologies in pure LDA. However, once perturbed, this new atomic potential cannot be used to find the ground state anymore, or even to relax atomic positions. Instead, Kohn-Sham equations are now just a way to achieve a self-consistent solution to the band gap problem in DFT. In this manuscript, an ab initio study is made using VASP with PAW pseudo-potentials to analyze the energy functional (specially the total energy and the energy eigenvalues sum) and band gaps. First and second derivatives of the total energy were studied as well, concluding the optimized cutoff radius for the electrostatic self-energy in LDA-½ strongly correlates to these functions. Using first and second derivatives (with relation to the cutoff radius) of the total energy, obtained through a non-self-consistent calculation using previously converged LDA-½ charge density, resulted in average deviation of 1.7% in the determination of the optimum cutoff radius in LDA-½, if compared to the usual procedure. It was also possible to treat LDA-½ as a perturbation, to precisely identify the energy term that was excluded. One important implication of these findings is that it should be possible to derive the LDA-½ procedure of finding the correct cutoff to the self-energy function necessary for half-excitation in solids, justifying it by total energy minimization instead of searching for extreme band gap values. In other words, results point to the possibility of a decision criterion by minimum energy, not only by an extreme band gap value (maximum or minimum), for the self-energy potential to be used to correct band gaps in crystals. Finally, with the corrected ground state energy, LDA-½ could be used not only to calculate excited-states properties, but also to perform ionic relaxations and calculate other ground state properties of materials. [ABSTRACT FROM AUTHOR]

A variational principle is used to study the oscillations of a reinforced thin cylindrical shell with a filler under axial compression with allowance for friction on their contact surface. The dependences of frequencies of natural oscillations on the number of waves in a circumferential direction are constructed. [ABSTRACT FROM AUTHOR]

Abstract This study presents a cohesive zone model combining mechanical and thermal effects. Thermal stress was added to the Helmholtz free energy density in order to derive a new approach to incremental damage which included the effect of temperature. The developed damage model has been implemented in ABAQUS using the UMAT subroutine and applied of two different specimens; a three-point bending specimen and a Double Cantilever Beam. The effectiveness of the new method was tested for the given specimens at different temperatures. The simulation results revealed that the total energy of the interface element of high strength carbon fiber reinforced plastic increased as its temperature decreased. It is demonstrated that the load-displacement curves obtained from the numerical model for both test specimens were in good agreement with experimental data available in literature. [ABSTRACT FROM AUTHOR]

By means of ab initio calculations, we have estimated stability of 2D Me 2 X (Me = Mg , Ca, Sr, Ba and X = Si , Ge, Sn) in the T and Td phases, which are similar to the ones of 2D transition metal chalcogenides, in addition to their phonon spectra. The T phase is found to be more stable for 2D Ca 2 X , Sr 2 X and Ba 2 X , whereas the Td phase is predicted to be the ground state for 2D Mg 2 X. We have also discussed that imaginary frequencies in the calculated phonon spectra of 2D Me 2 X , which appeared in the vicinity of the Γ point, were not necessarily associated with the dynamic instability. [ABSTRACT FROM AUTHOR]

Objective: Diet and lifestyle have been reported to be important risk factors for the development of colorectal cancer (CRC). However, the association between total energy and nutrient intake and the risk of developing CRC has not been clearly explained. The aim of our study is to examine the relationship between total energy intake and other nutrients and the development of CRC in the Jordanian population. Research Methods and Procedures: Dietary data was collected from 169 subjects who were previously diagnosed with CRC, and 248 control subjects (matched by age, gender, occupation and marital status). These control subjects were healthy and disease free. Data was collected between January 2010 and December 2012, using interview-based questionnaires. Logistic regression was used to evaluate the association between quartiles of total energy, macro- and micronutrient intakes with the risk of developing CRC in our study population. Results: Total energy intake was associated with a higher risk of developing CRC (OR = 2.60 for the highest versus lowest quartile of intake; 95% CI: 1.21–5.56, p-trend = 0.03). Intakes of protein (OR = 3.62, 95% CI: 1.63–8.05, p-trend = 0.002), carbohydrates (OR = 1.41, 95% CI: 0.67–2.99, p-trend = 0.043), and percentage of energy from fat (OR = 2.10, 95% CI: 0.38–11.70, p-trend = 0.009) significantly increased the risk for the development of CRC. Saturated fat, dietary cholesterol and sodium intake showed a significant association with the risk of developing CRC (OR = 5.23, 95% CI: 2.33–11.76; OR = 2.48, 95% CI: 1.18–5.21; and OR = 3.42, 95% CI: 1.59–7.38, respectively), while vitamin E and caffeine intake were indicative of a protective effect against the development of CRC, OR = 0.002 (95% CI: 0.0003–0.011) and 0.023 (95%CI: 0.008–0.067), respectively. Conclusion: Our results suggest an increased risk for the development of CRC in subjects with high dietary intake of energy, protein, saturated fat, cholesterol, and sodium, and diets high in vitamin E and caffeine were suggestive of a protective effect against the risk of developing CRC. Impact: This is the first study in Jordan to suggest that it may be possible to reduce CRC risk by adjusting the intake of some macro-and micronutrients.