Adsorption Reaction Dynamics of Systems Lysozyme and Nanodiamond/Nanosilica at pH=7-13

Adsorption reactions between surfaces of nanodiamond and nanosilica with diameter of 100 nm prepared as suspension solutions of 0.25μg/μL and lysozyme molecule with different concentrations of 7 mmol/L PPBS at pH=7, 9, 11, and 13 have been investigated by fluores- cence spectroscopy. Adsorption reaction constants and coverages of lysozyme with different concentrations of 0-1000 nmol/L under the influences of different pH values have been ob- tained. Helicities and conformations of the adsorbed lysozyme molecules, free spaces of every adsorbed lysozyme molecule on the surfaces of nanopartieles at different concentrations and pH values have been deduced and discussed. The highest adsorption capabilities for both sys- tems and conformational efficiency of the adsorbed lysozyme molecule at pH=13 have been obtained. Lysozyme molecules can be prepared, adsorbed and carried with optimal activity and helicity, with 2 and 10 mg/m2 on unit nanosurface, 130 and 150 mg/g with respect to the weight of nanoparticle, within the linear regions of the coverages at around 150-250 nmol/L and four pH values for nanodiamond and nanosilica, respectively. They can be prepared in the tightest packed form, with 20 and 55 mg/m2, 810-1680 and 580-1100 mg/g at threshold concentrations and four pH values for nanodiamond and nanosilica, respectively.

Study on the coupling calculation method for the launch dynamics of a self-propelled artillery multibody system considering engraving process

The launch dynamics theory for multibody systems emerges as an innovative and efficacious approach for the study of launch dynamics,capable of addressing the challenges of complex modeling,diminished computational efficiency,and imprecise analyses of system dynamic responses found in the dynamics research of intricate multi-rigid-flexible body systems,such as self-propelled artillery.This advancement aims to enhance the firing accuracy and launch safety of self-propelled artillery.Recognizing the shortfall of overlooking the band engraving process in existing theories,this study introduces a novel coupling calculation methodology for the launch dynamics of a self-propelled artillery multibody system.This method leverages the ABAQUS subroutine interface VUAMP to compute the dynamic response of the projectile and barrel during the launch process of large-caliber self-propelled artillery.Additionally,it examines the changes in projectile resistance and band deformation in relation to projectile motion throughout the band engraving process.Comparative analysis of the computational outcomes with experimental data evidences that the proposed method offers a more precise depiction of the launch process of self-propelled artillery,thereby enhancing the accuracy of launch dynamics calculations for self-propelled artillery.

Floquet spectrum and universal dynamics of a periodically driven two-atom system

We investigate the Floquet spectrum and excitation properties of a two-ultracold-atom system with periodically driven interaction in a three-dimensional harmonic trap.The interaction between the atoms is changed by varying the s-wave scattering length in two ways,the cosine and the square-wave modulations.It is found that as the driving frequency increases,the Floquet spectrum exhibits two main features for both modulations,the accumulating and the spreading of the quasienergy levels,which further lead to different dynamical behaviors.The accumulation is associated with collective excitations and the persistent growth of the energy,while the spread indicates that the energy is bounded at all times.The initial scattering length,the driving frequency and amplitude can all significantly change the Floquet spectrum as well as the dynamics.However,the corresponding relation between them is valid universally.Finally,we propose a mechanism for selectively exciting the system to one specific state by using the avoided crossing of two quasienergy levels,which could guide preparation of a desired state in experiments.

Non-perturbative dynamics of flat-band systems with correlated disorder

We develop a numerical method for the time evolution of Gaussian wave packets on flat-band lattices in the presence of correlated disorder.To achieve this,we introduce a method to generate random on-site energies with prescribed correlations.We verify this method with a one-dimensional(1D)cross-stitch model,and find good agreement with analytical results obtained from the disorder-dressed evolution equations.This allows us to reproduce previous findings,that disorder can mobilize 1D flat-band states which would otherwise remain localized.As explained by the corresponding disorder-dressed evolution equations,such mobilization requires an asymmetric disorder-induced coupling to dispersive bands,a condition that is generically not fulfilled when the flat-band is resonant with the dispersive bands at a Dirac point-like crossing.We exemplify this with the 1D Lieb lattice.While analytical expressions are not available for the two-dimensional(2D)system due to its complexity,we extend the numerical method to the 2D a–T3 model,and find that the initial flat-band wave packet preserves its localization when a=0,regardless of disorder and intersections.However,when a̸=0,the wave packet shifts in real space.We interpret this as a Berry phase controlled,disorder-induced wave-packet mobilization.In addition,we present density functional theory calculations of candidate materials,specifically Hg1−xCdxTe.The flat-band emerges near the G point(α=0)in the Brillouin zone.

The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure

In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.

Dynamic optimal allocation of energy storage systems integrated within photovoltaic based on a dual timescale dynamics model

Energy storage systems(ESSs)operate as independent market participants and collaborate with photovoltaic(PV)generation units to enhance the flexible power supply capabilities of PV units.However,the dynamic variations in the profitability of ESSs in the electricity market are yet to be fully understood.This study introduces a dual-timescale dynamics model that integrates a spot market clearing(SMC)model into a system dynamics(SD)model to investigate the profit-aware capacity growth of ESSs and compares the profitability of independent energy storage systems(IESSs)with that of an ESS integrated within a PV(PV-ESS).Furthermore,this study aims to ascertain the optimal allocation of the PV-ESS.First,SD and SMC models were set up.Second,the SMC model simulated on an hourly timescale was incorporated into the SD model as a subsystem,a dual-timescale model was constructed.Finally,a development simulation and profitability analysis was conducted from 2022 to 2040 to reveal the dynamic optimal range of PV-ESS allocation.Additionally,negative electricity prices were considered during clearing processes.The simulation results revealed differences in profitability and capacity growth between IESS and PV-ESS,helping grid investors and policymakers to determine the boundaries of ESSs and dynamic optimal allocation of PV-ESSs.

Model-driven full system dynamics estimation of PMSM-driven chain shell magazine

Based on the system dynamic model, a full system dynamics estimation method is proposed for a chain shell magazine driven by a permanent magnet synchronous motor(PMSM). An adaptive extended state observer(AESO) is proposed to estimate the unmeasured states and disturbance, in which the model parameters are adjusted in real time. Theoretical analysis shows that the estimation errors of the disturbances and unmeasured states converge exponentially to zero, and the parameter estimation error can be obtained from the extended state. Then, based on the extended state of the AESO, a novel parameter estimation law is designed. Due to the convergence of AESO, the novel parameter estimation law is insensitive to controllers and excitation signal. Under persistent excitation(PE) condition, the estimated parameters will converge to a compact set around the actual parameter value. Without PE signal, the estimated parameters will converge to zero for the extended state. Simulation and experimental results show that the proposed method can accurately estimate the unmeasured states and disturbance of the chain shell magazine, and the estimated parameters will converge to the actual value without strictly continuous PE signals.

Impact of the carbon market on investment benefits of power-grid enterprises in China: a system dynamics analysis

The power grid,as the hub connecting the power supply and consumption sides,plays an important role in achieving carbon neutrality in China.In emerging carbon markets,assessing the investment benefits of power-grid enterprises is essential.Thus,studying the impact of the carbon market on the investment and operation of powergrid enterprises is key to ensuring their efficient operation.Notably,few studies have examined the interaction between the carbon and electricity markets using system dynamics models,highlighting a research gap in this area.This study investigates the impact of the carbon market on the investment of power-grid enterprises using a novel evaluation system based on a system dynamics model that considers carbon-emissions from an established carbon-emission accounting model.First,an index system for benefit evaluation was constructed from six aspects:financing ability,economic benefit,reliability,social responsibility,user satisfaction,and carbon-emissions.A system dynamics model was then developed to reflect the causal feedback relationship between the impact of the carbon market on the investment and operation of power-grid enterprises.The simulation results of a provincial power-grid enterprise analyze comprehensive investment evaluation benefits over a 10-year period and the impact of carbon emissions on the investment and operation of power-grid enterprises.This study provides guidelines for the benign development of power-grid enterprises within the context of the carbon market.

EVOLUTION AND INTERACTION OF δ-WAVES IN THE ZERO-PRESSURE GAS DYNAMICS SYSTEM

Evolution and interaction of plane waves of the multidimensional zero-pressure gas dynamics system leads to the study of the corresponding one dimensional system.In this paper,we study the initial value problem for one dimensional zero-pressure gas dynamics system.Here the first equation is the Burgers equation and the second one is the continuity equation.We consider the solution with initial data in the space of bounded Borel measures.First we prove a general existence result in the algebra of generalized functions of Colombeau.Then we study in detail special solutions withδ-measures as initial data.We study interaction of waves originating from initial data concentrated on two point sources and interaction with classical shock/rarefaction waves.This gives an understanding of plane-wave interactions in the multidimensional case.We use the vanishing viscosity method in our analysis as this gives the physical solution.

Typology and Agroecology of Agroecosystems in Vegetation Dynamics in the Ecotones of the Mbam and Inoubou

Agroforestry systems strongly characterize the Cameroonian agrarian landscape. Agroforests are among those structuring the ecotones of Mbam and Inoubou in the Central Cameroon region. Numerous works on agroecosystems of Central and South Cameroon, few have come out contribution of the structure of these traditional systems in the dynamics of the vegetation of these forest-savannah ecotones. The present contribution has the overall objective of demonstrating the structural efficiency of agroforests the dynamics of ecotone vegetation, but also in the conservation of biodiversity. To do this, a participatory analysis was carried out with 56 farmers distributed in the five villages of Makénéné. Botanical inventories supplemented socio-economic household surveys. The data collected was subjected to various analyzes (univariate test, analysis of variance, multivariate test, PCA, CAH). The results reveal that 55.2% of agroforests are less than 15 years old and those with an area greater than 1500 m2 predominate (33%). They are mainly young with generally small surface areas. The horizontal structure reveals that the largest diameter classes are those of [20 - 30 cm[ and [10 - 20 cm[ with a very low rate of basal area. Agroforests with trees over 10 m high are dominant in five villages of Makénéné. Two types of structural profiles characterize the agroforestry flora of the area, namely intensive pluristratified home gardens on savannah and intensive pluristratified agroforests under forest-savannah transition vegetation. Principal Component Analysis (PCA) and Ascending Hierarchical Clustering (HAC) show three Agroforest Clusters each. The PCA distribution reveals that woody biomass (Y) is strongly correlated with tree diameter (DBH) and significantly with height (Cluster 2). The age (AAG) (Cluster 1) of these agroforests, on the other hand, remains independent of the density (DST) of these trees (Cluster 3). The agroforests in the Nyokon, Carrière and Mocksud villages are the most effective in terms of conserving woody diversity while the agroforests of the Kinding ndé and Nyokon villages are more efficient in the reforestation processes. These results could be considered as effective and quantifiable tools for the certification of numerous cash crops such as cocoa and coffee, which will make it possible to valorize this local knowledge in terms of scientific and in the development of various programs and writing of technical notes.

The impact of demographic dynamics on food consumption and its environmental outcomes:Evidence from China

With increasing population and changing demographics,food consumption has experienced a significant transition in quantity and quality.However,a dearth of knowledge remains regarding its environmental impacts and how it responds to demographic dynamics,particularly in emerging economies like China.Using the two-stage Quadratic Almost Demand System(QUAIDS)model,this study empirically examines the impact of demographic dynamics on food consumption and its environmental outcomes based on the provincial data from 2000 to 2020 in China.Under various scenarios,according to changes in demographics,we extend our analysis to project the long-term trend of food consumption and its environmental impacts,including greenhouse gas(GHG)emissions,water footprint(WF),and land appropriation(LA).The results reveal that an increase in the proportion of senior people significantly decreases the consumption of grain and livestock meat and increases the consumption of poultry,egg,and aquatic products,particularly for urban residents.Moreover,an increase in the proportion of males in the population leads to higher consumption of poultry and aquatic products.Correspondingly,in the current scenario of an increased aging population and sex ratio,it is anticipated that GHG emissions,WF,and LA are likely to decrease by 1.37,2.52,and 3.56%,respectively.More importantly,in the scenario adhering to the standards of nutritional intake according to the Dietary Guidelines for Chinese Residents in 2022,GHG emissions,WF,and LA in urban areas would increase by 12.78,20.94,and 18.32%,respectively.Our findings suggest that changing demographics should be considered when designing policies to mitigate the diet-environment-health trilemma and achieve sustainable food consumption.

Dynamic simulation analysis of molten salt reactor-coupled air-steam combined cycle power generation system

A nonlinear dynamic simulation model based on coordinated control of speed and flow rate for the molten salt reactor and combined cycle systems is proposed here to ensure the coordination and stability between the molten salt reactor and power system.This model considers the impact of thermal properties of fluid variation on accuracy and has been validated with Simulink.This study reveals the capability of the control system to compensate for anomalous situations and maintain shaft stability in the event of perturbations occurring in high-temperature molten salt tank outlet parameters.Meanwhile,the control system’s impact on the system’s dynamic characteristics under molten salt disturbance is also analyzed.The results reveal that after the disturbance occurs,the controlled system benefits from the action of the control,and the overshoot and disturbance amplitude are positively correlated,while the system power and frequency eventually return to the initial values.This simulation model provides a basis for utilizing molten salt reactors for power generation and maintaining grid stability.

Millisecond dynamics of colloidal suspension studied by X-ray photon correlation spectroscopy at the Shanghai Synchrotron Radiation Facility

X-ray photon correlation spectroscopy(XPCS)has emerged as a powerful tool for probing the nanoscale dynamics of soft condensed matter and strongly correlated materials owing to its high spatial resolution and penetration capabilities.This technique requires high brilliance and beam coherence,which are not directly available at modern synchrotron beamlines in China.To facilitate future XPCS experiments,we modified the optical setup of the newly commissioned BL10U1 USAXS beamline at the Shanghai Synchrotron Radiation Facility(SSRF).Subsequently,we performed XPCS measurements on silica suspensions in glycerol,which were opaque owing to their high concentrations.Images were collected using a high frame rate area detector.A comprehensive analysis was performed,yielding correlation functions and several key dynamic parameters.All the results were consistent with the theory of Brownian motion and demonstrated the feasibility of XPCS at SSRF.Finally,by carefully optimizing the setup and analyzing the algorithms,we achieved a time resolution of 2 ms,which enabled the characterization of millisecond dynamics in opaque systems.

Community structure and species diversity dynamics of a subtropical evergreen broad-leaved forest in China:2005 to 2020

Here,we characterize the temporal and spatial dynamics of forest community structure and species diversity in a subtropical evergreen broad-leaved forest in China.We found that community structure in this forest changed over a 15-year period.Specifically,renewal and death of common species was large,with the renewal of individuals mainly concentrated within a few populations,especially those of Aidia canthioides and Cryptocarya concinna.The numbers of individual deaths for common species were concentrated in the small and mid-diameter level.The spatial distribution of community species diversity fluctuated in each monitoring period,showing a more dispersed diversity after the 15-year study period,and the coefficient of variation on quadrats increased.In 2010,the death and renewal of the community and the spatial variation of species diversity were different compared to other survey years.Extreme weather may have affected species regeneration and community stability in our subtropical monsoon evergreen broad-leaved forests.Our findings suggest that strengthening the monitoring and management of the forest community will help better understand the long-and short-term causes of dynamic fluctuations of community structure and species diversity,and reveal the factors that drive changes in community structure.

Analysis of CH_(4) and H_(2) Adsorption on Heterogeneous Shale Surfaces Using aMolecular Dynamics Approach

Determining the adsorption of shale gas on complex surfaces remains a challenge in molecular simulation studies.Difficulties essentially stem from the need to create a realistic shale structure model in terms of mineral heterogeneityand multiplicity.Moreover,precise characterization of the competitive adsorption of hydrogen andmethane in shale generally requires the experimental determination of the related adsorptive capacity.In thisstudy,the adsorption of adsorbates,methane(CH_(4)),and hydrogen(H_(2))on heterogeneous shale surface modelsof Kaolinite,Orthoclase,Muscovite,Mica,C_(60),and Butane has been simulated in the frame of a moleculardynamic’s numerical technique.The results show that these behaviors are influenced by pressure and potentialenergy.On increasing the pressure from 500 to 2000 psi,the sorption effect for CH_(4)significantly increasesbut shows a decline at a certain stage(if compared to H_(2)).The research findings also indicate that raw shalehas a higher capacity to adsorb CH_(4)compared to hydrogen.However,in shale,this difference is negligible.

Dynamics and genetic regulation of macronutrient concentrations during grain development in maize

Nitrogen(N), phosphorus(P), and potassium(K) are essential macronutrients that are crucial not only for maize growth and development, but also for crop yield and quality. The genetic basis of macronutrient dynamics and accumulation during grain filling in maize remains largely unknown. In this study, we evaluated grain N, P, and K concentrations in 206 recombinant inbred lines generated from a cross of DH1M and T877 at six time points after pollination. We then calculated conditional phenotypic values at different time intervals to explore the dynamic characteristics of the N, P, and K concentrations. Abundant phenotypic variations were observed in the concentrations and net changes of these nutrients. Unconditional quantitative trait locus(QTL) mapping revealed 41 non-redundant QTLs, including 17, 16, and 14 for the N, P, and K concentrations, respectively. Conditional QTL mapping uncovered 39 non-redundant QTLs related to net changes in the N, P, and K concentrations. By combining QTL, gene expression, co-expression analysis, and comparative genomic data, we identified 44, 36, and 44 candidate genes for the N, P, and K concentrations, respectively, including GRMZM2G371058 encoding a Doftype zinc finger DNA-binding family protein, which was associated with the N concentration, and GRMZM2G113967encoding a CBL-interacting protein kinase, which was related to the K concentration. The results deepen our understanding of the genetic factors controlling N, P, and K accumulation during maize grain development and provide valuable genes for the genetic improvement of nutrient concentrations in maize.

Semiclassical approach to spin dynamics of a ferromagnetic S = 1 chain

Motivated by recent experimental progress on the quasi-one-dimensional quantum magnet Ni Nb2O6, we study the spin dynamics of an S = 1 ferromagnetic Heisenberg chain with single-ion anisotropy by using a semiclassical molecular dynamics approach. This system undergoes a quantum phase transition from a ferromagnetic to a paramagnetic state under a transverse magnetic field, and the magnetic response reflecting this transition is well described by our semiclassical method.We show that at low temperature the transverse component of the dynamical structure factor depicts clearly the magnon dispersion, and the longitudinal component exhibits two continua associated with single-and two-magnon excitations,respectively. These spin excitation spectra show interesting temperature dependence as effects of magnon interactions. Our findings shed light on the experimental detection of spin excitations in a large class of quasi-one-dimensional magnets.

Probing the interaction between asphaltene-wax and its effects on the crystallization behavior of waxes in heavy oil via molecular dynamics simulation

High content of asphaltenes and waxes leads to the high pour point and the poor flowability of heavy oil,which is adverse to its efficient development and its transportation in pipe.Understanding the interaction mechanism between asphaltene-wax is crucial to solve these problems,but it is still unclear.In this paper,molecular dynamics simulation was used to investigate the interaction between asphaltenewax and its effects on the crystallization behavior of waxes in heavy oil.Results show that molecules in pure wax are arranged in a paralleled geometry.But wax molecules in heavy oil,which are close to the surface of asphaltene aggregates,are bent and arranged irregularly.When the mass fraction of asphaltenes in asphaltene-wax system(ω_(asp))is 0-25 wt%,the attraction among wax molecules decreases and the bend degree of wax molecules increases with the increase ofω_(asp).Theω_(asp)increases from 0 to 25 wt%,and the attraction between asphaltene-wax is stronger than that among waxes.This causes that the wax precipitation point changes from 353 to 333 K.While theω_(asp)increases to 50 wt%,wax molecules are more dispersed owing to the steric hindrance of asphaltene aggregates,and the interaction among wax molecules transforms from attraction to repulsion.It causes that the ordered crystal structure of waxes can't be formed at normal temperature.Simultaneously,the asphaltene,with the higher molecular weight or the more hetero atoms,has more obvious inhibition to the formation of wax crystals.Besides,resins also have an obvious inhibition on the wax crystal due to the formation of asphalteneresin aggregates with a larger radius.Our results reveal the interaction mechanism between asphaltene-wax,and provide useful guidelines for the development of heavy oil.

Theoretical and experimental investigation of the resonance responses and chaotic dynamics of a bistable laminated composite shell in the dynamic snap-through mode

The dynamic model of a bistable laminated composite shell simply supported by four corners is further developed to investigate the resonance responses and chaotic behaviors.The existence of the 1:1 resonance relationship between two order vibration modes of the system is verified.The resonance response of this class of bistable structures in the dynamic snap-through mode is investigated,and the four-dimensional(4D)nonlinear modulation equations are derived based on the 1:1 internal resonance relationship by means of the multiple scales method.The Hopf bifurcation and instability interval of the amplitude frequency and force amplitude curves are analyzed.The discussion focuses on investigating the effects of key parameters,e.g.,excitation amplitude,damping coefficient,and detuning parameters,on the resonance responses.The numerical simulations show that the foundation excitation and the degree of coupling between the vibration modes exert a substantial effect on the chaotic dynamics of the system.Furthermore,the significant motions under particular excitation conditions are visualized by bifurcation diagrams,time histories,phase portraits,three-dimensional(3D)phase portraits,and Poincare maps.Finally,the vibration experiment is carried out to study the amplitude frequency responses and bifurcation characteristics for the bistable laminated composite shell,yielding results that are qualitatively consistent with the theoretical results.

Differences in Precipitation and Related Wind Dynamics and Moisture and Heat Features in Separate Areas of the South China Sea before and after Summer Monsoon Onset

Using surface and balloon-sounding measurements, satellite retrievals, and ERA5 reanalysis during 2011–20, this study compares the precipitation and related wind dynamics, moisture and heat features in different areas of the South China Sea(SCS) before and after SCS summer monsoon onset(SCSSMO). The rainy sea around Dongsha(hereafter simply referred to as Dongsha) near the north coast, and the rainless sea around Xisha(hereafter simply referred to as Xisha) in the western SCS, are selected as two typical research subregions. It is found that Dongsha, rather than Xisha, has an earlier and greater increase in precipitation after SCSSMO under the combined effect of strong low-level southwesterly winds, coastal terrain blocking and lifting, and northern cold air. When the 950-h Pa southwesterly winds enhance and advance northward, accompanied by strengthened moisture flux, there is a strong convergence of wind and moisture in Dongsha due to a sudden deceleration and rear-end collision of wind by coastal terrain blocking. Moist and warm advection over Dongsha enhances early and deepens up to 200 h Pa in association with the strengthened upward motion after SCSSMO, thereby providing ample moisture and heat to form strong precipitation. However, when the 950-h Pa southwesterly winds weaken and retreat southward, Xisha is located in a wind-break area where strong convergence and upward motion centers move in. The vertical moistening and heating by advection in Xisha enhance later and appear far weaker compared to that in Dongsha, consistent with later and weaker precipitation.