An adjusted energy-saving quantity calculation method for building energy-efficient retrofit

Aiming at a comprehensive assessment of energy-saving retrofitting effect on existing buildings,a calculation method is developed to adjust energy-saving quantity in standard condition for comparison under the same conditions. A mathematical model,method theory and calculation steps are given. Error analysis results show that this method can be applied accurately to practical engineering projects. In a case study of energy-saving quantity assessment before and after retrofitting on a certain hospital in Shanghai,with energy simulation software TRNSYS,detailed application of this method is introduced and analyzed. The method is applied to the case of energy-saving quantity assessment to a hospital in Shanghai before and after retrofitting with the energy simulation software TRNSYS.

Transformation of long-period stacking ordered structures in Mg-Gd-Y-Zn alloys upon synergistic characterization of first-principles calculation and experiment and its effects on mechanical properties

Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process of long-period stacking ordered(LPSO)structure during solidification and heat treatment and its effect on the mechanical properties of experimental alloys are discussed.Results reveal that the stacking faults and 18R LPSO phases appear in the as-cast Mg-10Gd-4Y-1Zn-0.6Zr and Mg-10Gd-4Y-2Zn-0.6Zr alloys,respectively.After solution treatment,the stacking faults and 18R LPSO phase transform into 14H LPSO phase.The Enthalpies of formation and reaction energy of 14H and 18R LPSO are calculated based on first-principles.Results show that the alloying ability of 18R is stronger than that of 14H.The reaction energies show that the 14H LPSO phase is more stable than the 18R LPSO.The elastic properties of the 14H and 18R LPSO phases are also evaluated by first-principles calculations,and the results are in good agreement with the experimental results.The precipitation of LPSO phase improves the tensile strength,yield strength and elongation of the alloy.After solution treatment,the Mg-10Gd-4Y-2Zn-0.6Zr alloy has the best mechanical properties,and its ultimate tensile strength and yield strength are 278.7 MPa and 196.4 MPa,respectively.The elongation of Mg-10Gd-4Y-2Zn-0.6Zr reaches 15.1,which is higher than that of Mg-10Gd-4Y0.6Zr alloy.The improving mechanism of elastic modulus by the LPSO phases and the influence on the alloy mechanical properties are also analyzed.

Random Green's Function Method for Large-Scale Electronic Structure Calculation

We report a linear-scaling random Green's function(rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H_(2)O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H_(2)O clusters at T = 0 K can reach an error of~ 1 me V per H_(2)O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.

Energy-Saving Distributed Flexible Job Shop Scheduling Optimization with Dual Resource Constraints Based on Integrated Q-Learning Multi-Objective Grey Wolf Optimizer

The distributed flexible job shop scheduling problem(DFJSP)has attracted great attention with the growth of the global manufacturing industry.General DFJSP research only considers machine constraints and ignores worker constraints.As one critical factor of production,effective utilization of worker resources can increase productivity.Meanwhile,energy consumption is a growing concern due to the increasingly serious environmental issues.Therefore,the distributed flexible job shop scheduling problem with dual resource constraints(DFJSP-DRC)for minimizing makespan and total energy consumption is studied in this paper.To solve the problem,we present a multi-objective mathematical model for DFJSP-DRC and propose a Q-learning-based multi-objective grey wolf optimizer(Q-MOGWO).In Q-MOGWO,high-quality initial solutions are generated by a hybrid initialization strategy,and an improved active decoding strategy is designed to obtain the scheduling schemes.To further enhance the local search capability and expand the solution space,two wolf predation strategies and three critical factory neighborhood structures based on Q-learning are proposed.These strategies and structures enable Q-MOGWO to explore the solution space more efficiently and thus find better Pareto solutions.The effectiveness of Q-MOGWO in addressing DFJSP-DRC is verified through comparison with four algorithms using 45 instances.The results reveal that Q-MOGWO outperforms comparison algorithms in terms of solution quality.

Exploring the mechanism of a novel cationic surfactant in bastnaesite flotation via the integration of DFT calculations,in-situ AFM and electrochemistry

Effectively separating bastnaesite from calcium-bearing gangue minerals(particularly calcite)presents a formidable challenge,making the development of efficient collectors crucial.To achieve this,we have designed and synthesized a novel,highly efficient,water-soluble cationic collector,N-dodecylisopropanolamine(NDIA),for use in the bastnaesite-calcite flotation process.Density functional theory(DFT)calculations identified the amine nitrogen atom in NDIA as the site most susceptible to electrophilic attack and electron loss.By introducing an OH group into the traditional collector dodecylamine(DDA)structure,NDIA provided additional adsorption sites,enabling synergistic adsorption on the surface of bastnaesite,thereby significantly enhancing both the floatability and selectivity of these minerals.The recovery of bastnaesite was 76.02%,while the calcite was 1.26%.The NDIA markedly affected the zeta potential of bastnaesite,while its impact on calcite was relatively minor.Detailed Fourier-transform infrared spectroscopy(FTIR)and X-ray photoelectron spectroscopy(XPS)results elucidated that the―NH―and―OH groups in NDIA anchored onto the bastnaesite surface through robust electrostatic and hydrogen bonding interactions,thereby enhancing bastnaesite's affinity for NDIA.Furthermore,in situ atomic force microscopy(AFM)provided conclusive evidence of NDIA aggregation on the bastnaesite surface,improving contact angle and hydrophobicity,and significantly boosting the flotation recovery of bastnaesite.

Emerging perovskite materials for supercapacitors:Structure,synthesis,modification,advanced characterization,theoretical calculation and electrochemical performance

As a new generation electrode materials for energy storage,perovskites have attracted wide attention because of their unique crystal structure,reversible active sites,rich oxygen vacancies,and good stability.In this review,the design and engineering progress of perovskite materials for supercapacitors(SCs)in recent years is summarized.Specifically,the review will focus on four types of perovskites,perovskite oxides,halide perovskites,fluoride perovskites,and multi-perovskites,within the context of their intrinsic structure and corresponding electrochemical performance.A series of experimental variables,such as synthesis,crystal structure,and electrochemical reaction mechanism,will be carefully analyzed by combining various advanced characterization techniques and theoretical calculations.The applications of these materials as electrodes are then featured for various SCs.Finally,we look forward to the prospects and challenges of perovskite-type SCs electrodes,as well as the future research direction.

First Principles Calculations for Corrosion in Mg-Li-Al Alloys with Focus on Corrosion Resistance: A Comprehensive Review

This comprehensive review examines the structural,mechanical,electronic,and thermodynamic properties of Mg-Li-Al alloys,focusing on their corrosion resistance and mechanical performance enhancement.Utilizing first-principles calculations based on Density Functional Theory(DFT)and the quasi-harmonic approximation(QHA),the combined properties of the Mg-Li-Al phase are explored,revealing superior incompressibility,shear resistance,and stiffness compared to individual elements.The review highlights the brittleness of the alloy,supported by B/G ratios,Cauchy pressures,and Poisson’s ratios.Electronic structure analysis shows metallic behavior with varied covalent bonding characteristics,while Mulliken population analysis emphasizes significant electron transfer within the alloy.This paper also studied thermodynamic properties,including Debye temperature,heat capacity,enthalpy,free energy,and entropy,which are precisely examined,highlighting the Mg-Li-Al phase sensitive to thermal conductivity and thermal performance potential.Phonon density of states(PHDOS)confirms dynamic stability,while anisotropic sound velocities reveal elastic anisotropies.This comprehensive review not only consolidates the current understanding of the Mg-Li-Al alloy’s properties but also proposes innovative strategies for enhancing corrosion resistance.Among these strategies is the introduction of a corrosion barrier akin to the Mg-Li-Al network,which holds promise for advancing both the applications and performance of these alloys.This review serves as a crucial foundation for future research aimed at optimizing alloy design and processing methods.

A new method for fluid identification and saturation calculation of low contrast tight sandstone reservoir

The resistivity difference between oil and gas layers and the water layers in low contrast tight sandstone reservoirs is subtle. Fluid identification and saturation calculation based on conventional logging methods are facing challenges in such reservoirs. In this paper, a new method is proposed for fluid identification and saturation calculation in low contrast tight sandstone reservoirs. First, a model for calculating apparent formation water resistivity is constructed, which takes into account the influence of shale on the resistivity calculation and avoids apparent formation water resistivity abnormal values.Based on the distribution of the apparent formation water resistivity obtained by the new model, the water spectrum is determined for fluid identification in low contrast tight sandstone reservoirs.Following this, according to the average, standard deviation, and endpoints of the water spectrum, a new four-parameter model for calculating reservoir oil and gas saturation is built. The methods proposed in this paper are applied to the low contrast tight sandstone reservoirs in the Q4 formation of the X53 block and X70 block in the south of Songliao Basin, China. The results show that the water spectrum method can effectively distinguish oil-water layers and water layers in the study area. The standard deviation of the water spectrum in the oil-water layer is generally greater than that in the water layer. The new four-parameter model yields more accurate oil and gas saturation. These findings verify the effectiveness of the proposed methods.

Organic Compounds Possessing the Plastic Crystalline Phase: Calculation of Their Fusion Enthalpies

For the first time, for different organic and inorganic compounds possessing the plastic crystalline phase, a new semiempirical equation describing dependence of their fusion enthalpies on such physico-chemical quantities as normal melting temperature, surface tension, molar volume and critical molar volume is received on the base of the principle of corresponding states and the energy equipartition theorem. Moreover, the proposed equation allows one to take into account the particularities of one-particle molecular rotation in the plastic crystalline phase.

Utility and Application of a Versatile Analytical Method for MMF Calculation in AC Machines

A versatile analytical method(VAM) for calculating the harmonic components of the magnetomotive force(MMF) generated by diverse armature windings in AC machines has been proposed, and the versatility of this method has been established in early literature. However, its practical applications and significance in advancing the analysis of AC machines need further elaboration. This paper aims to complement VAM by augmenting its theory, offering additional insights into its conclusions, as well as demonstrating its utility in assessing armature windings and its application of calculating torque for permanent magnet synchronous machines(PMSM). This work contributes to advancing the analysis of AC machines and underscores the potential for improved design and performance optimization.

High-throughput calculation-based rational design of Fe-doped MoS_(2) nanosheets for electrocatalytic p H-universal overall water splitting

Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation screening.Due to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and OER.When assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral condition.These results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.

Operation optimization strategy of existing residential building energy-saving renovation market:From the perspective of subject behavior

The energy-saving renovation of existing residential buildings is a crucial measure to achieve the strategic goal of energy conservation and emission reduction in China and build ecologically livable cities.This article focuses on the perspective of subject behavior,starting from analyzing the current situation and difficulties of the operation of the energy-saving renovation market for existing residential buildings in China,drawing on the practical experience of the operation of the existing residential building energy-saving renovation market abroad.Based on principles such as systematicity,humanization,feasibility,and sustainability,the article constructs an operation optimization system of the existing residential building energy-saving renovation market from the perspective of subject behavior.In order to provide a reference for the healthy and orderly operation of the existing residential building energy-saving renovation market,this paper proposes implementation strategies for optimizing the operation of the existing residential building energy-saving renovation market.Suggestions are proposed from four aspects:optimizing the market environment,innovating the financing model,building the information sharing platform,and utilizing the synergies of the main subjects.

Syntheses,crystal structures,and quantum chemistry calculation of two Ni(Ⅱ)coordination polymers

Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.

Partitioning Calculation Method of Short-Circuit Current for High Proportion DG Access to Distribution Network

Aiming at the problemthat the traditional short-circuit current calculationmethod is not applicable to Distributed Generation(DG)accessing the distribution network,the paper proposes a short-circuit current partitioning calculation method considering the degree of voltage drop at the grid-connected point of DG.Firstly,the output characteristics of DG in the process of low voltage ride through are analyzed,and the equivalent output model of DG in the fault state is obtained.Secondly,by studying the network voltage distribution law after fault in distribution networks under different DG penetration rates,the degree of voltage drop at the grid-connected point of DG is used as a partition index to partition the distribution network.Then,iterative computation is performed within each partition,and data are transferred between partitions through split nodes to realize the fast partition calculation of short-circuit current for high proportion DG access to distribution network,which solves the problems of long iteration time and large calculation error of traditional short-circuit current.Finally,a 62-node real distribution network model containing a high proportion of DG access is constructed onMATLAB/Simulink,and the simulation verifies the effectiveness of the short-circuit current partitioning calculation method proposed in the paper,and its calculation speed is improved by 48.35%compared with the global iteration method.

Temperature field calculation of rail flash welding

The forging stage of rail flash welding has a decisive influence on joint strength,and the study of the temperature distribution in the process has an important role in further improving joint strength.In this paper,three calculation methods for the temperature field are given.First,the finite element model of the temperature field before forging rail flash welding is established by using the transient heat module of Ansys software and verified by infrared temperature measurement.Second,the temperature distribution of different parts of the rail before flash welding is obtained by using infrared thermal imaging equipment.Third,Matlab software is used to calculate the temperature of the non-measured part.Finally,the temperature distribution function along the rail axis is fitted through the temperature measurement data.The temperature distribution before the top forging of the rail flash welding can be used to analyze the joint and heat-affected zone organization and properties effectively and to guide the parameter setting and industrial production.

Effect of Types and Orders of Electromagnetic Field Finite Element Meshes on Power Communication Harmonic Parameters Calculation Results of Tubular Hydrogenerators

In generator design field,waveform total harmonic distortion(THD)and telephone harmonic factor(THF)are parameters commonly used to measure the impact of generator no-load voltage harmonics on the power communication quality.Tubular hydrogenerators are considered the optimal generator for exploiting low-head,high-flow hydro resources,and they have seen increasingly widespread application in China's power systems recent years.However,owing to the compact and constrained internal space of such generators,their internal magnetic-field harmonics are pronounced.Therefore,accurate calculation of their THD and THF is crucial during the analysis and design stages to ensure the quality of power communication.Especially in the electromagnetic field finite element modeling analysis of such generators,the type and order of the finite element meshes may have a significant impact on the THD and THF calculation results,which warrants in-depth research.To address this,this study takes a real 34 MW large tubular hydrogenerator as an example,and establishes its electromagnetic field finite element model under no-load conditions.Two types of meshes,five mesh densities,and two mesh orders are analyzed to reveal the effect of electromagnetic field finite element mesh types and orders on the calculation results of THD and THF for such generators.

Energy-Saving Construction Technologies for Buildings

The development of the construction industry is shifting towards low-carbon construction,so it is necessary to improve and optimize related construction concepts,methods,and processes.By improving resource and energy control efficiency in building projects,minimizing construction waste,and reducing environmental impact,a foundation for the sustainable development of the industry can be established.This paper mainly analyzes the significance of low-carbon energy-saving construction technology and the control factors of construction,summarizes the status quo of the development of building energy-saving construction,and puts forward strategies for applying building energy-saving construction technology.These strategies serve to achieve low-carbon and energy-saving goals to promote the healthy development of energy-saving construction.

Application of Energy-Saving Materials in Architectural Design

The conventional process of building construction is associated with issues such as the waste of construction materials and environmental pollution.Sustainable development highlights the importance of energy conservation and eco-friendly practices.It is essential to use energy-efficient and green materials in building designs to ensure the healthy growth of construction companies.This article discusses the advantages and principles of incorporating energy-saving materials in architectural design.It examines the strategies and critical control points for using energy-saving materials in architectural design,offering guidance for the sustainable development of the construction industry.

Exploration of Energy-Saving Technologies in Building Electrical System Design

Green energy conservation is the mainstream trend in the current development of the construction industry.The application of energy-saving technology in building electrical system design can effectively reduce energy consumption,avoid unnecessary energy consumption,and truly achieve energy conservation and environmental protection.Based on this,the article elaborates on the principles of energy-saving design in building electrical systems,and actively explores the application of energy-saving technologies from different perspectives such as optimizing power supply and distribution system design,adopting high-efficiency energy-saving lighting equipment,applying renewable energy,promoting smart home technology,and improving the efficiency of building electrical equipment.

Split Lohmann computer holography: fast generation of 3D hologram in single-step diffraction calculation

Holographic display stands as a prominent approach for achieving lifelike three-dimensional(3D)reproductions with continuous depth sensation.However,the generation of a computer-generated hologram(CGH)always relies on the repetitive computation of diffraction propagation from point-cloud or multiple depthsliced planar images,which inevitably leads to an increase in computational complexity,making real-time CGH generation impractical.Here,we report a new CGH generation algorithm capable of rapidly synthesizing a 3D hologram in only one-step backward propagation calculation in a novel split Lohmann lens-based diffraction model.By introducing an extra predesigned virtual digital phase modulation of multifocal split Lohmann lens in such a diffraction model,the generated CGH appears to reconstruct 3D scenes with accurate accommodation abilities across the display contents.Compared with the conventional layer-based method,the computation speed of the proposed method is independent of the quantized layer numbers,and therefore can achieve real-time computation speed with a very dense of depth sampling.Both simulation and experimental results validate the proposed method.