Tuberculosis(TB)remained the first leading cause of death from a single infectious agent worldwide in 2023,resulting in nearly twice as many deaths as those caused by the human immunodeficiency virus/acquired immune d...Tuberculosis(TB)remained the first leading cause of death from a single infectious agent worldwide in 2023,resulting in nearly twice as many deaths as those caused by the human immunodeficiency virus/acquired immune deficiency syndrome.An estimated 10.8 million TB cases were reported globally in 2023,with approximately 1.25 million associated deaths.In China,which ranks third in the global TB burden,there were approximately 741,000 new cases and 25,000 deaths in 2023^([1]).TB poses a significant threat to human health worldwide.展开更多
The dynamics of regional convergence include spatial and temporal dimensions. Spatial Markov chain can be used to explore how regions evolve by considering both individual regions and their geographic neighbors. Based...The dynamics of regional convergence include spatial and temporal dimensions. Spatial Markov chain can be used to explore how regions evolve by considering both individual regions and their geographic neighbors. Based on per capita GDP data set of 77 counties from 1978 to 2000, this paper attempts to investigate the spatial-temporal dynamics of regional convergence in Jiangsu. First, traditional Markov matrix for five per capita GDP classes is constructed for later comparison. Moreover, each region’s spatial lag is derived by averaging all its neighbors’ per capita GDP data. Conditioning on per capita GDP class of its spatial lag at the beginning of each year, spatial Markov transition probabilities of each region are calculated accordingly. Quantitatively, for a poor region, the probability of moving upward is 3.3% if it is surrounded by its poor neighbors, and even increases to 18.4% if it is surrounded by its rich neighbors, but it goes down to 6.2% on average if ignoring regional context. For a rich region, the probability of moving down ward is 1.2% if it is surrounded by its rich neighbors, but increases to 3.0% if it is surrounded by its poor neighbors, and averages 1.5% irrespective of regional context. Spatial analysis of regional GDP class transitions indicates those 10 upward moves of both regions and their neighbors are unexceptionally located in the southern Jiangsu, while downward moves of regions or their neighbors are almost in the northern Jiangsu. These empirical results provide a spatial explanation to the "convergence clubs" detected by traditional Markov chain.展开更多
The change in land development intensity is an important perspective to reflect the variation in regional social and economic development and spatial differentiation.In this paper,spatial statistical analysis,Ordinary...The change in land development intensity is an important perspective to reflect the variation in regional social and economic development and spatial differentiation.In this paper,spatial statistical analysis,Ordinary Least Squares(OLS),and Geographically weighted regression(GWR)methods are used to systematically analyse the spatial-temporal characteristics and driving forces of land development intensity for 131 spatial units in the western China from 2000 to 2015.The findings of the study are as follows:1)The land development intensity in the western China has been increasing rapidly.From 2000 to 2015,land development intensity increased by 3.4 times on average.2)The hotspot areas have shifted from central Inner Mongolia,northern Shaanxi and the Beibu Gulf of Guangxi to the Guanzhong Plain and the Chengdu-Chongqing urban agglomeration.The areas of cold spots were mainly concentrated in the Qinghai-Tibet Plateau,Yunnan,and Xinjiang.3)Investment intensity and the natural environment have always been the main drivers of land development intensity in the western China.Investment played a powerful role in promoting land development intensity,while the natural and ecological environment distinctly constrained such development.The effect of the economic factors on land development intensity in the western China has changed,which is reflected in the driving factor of construction land development shifting from economic growth in 2000 to economic structure,especially industrial structure,in 2015.展开更多
Analysis of spatial-temporal variations of desert vegetation under the background of climate changes can provide references for ecological restoration in arid and semi-arid areas. In this study, we used the Global Inv...Analysis of spatial-temporal variations of desert vegetation under the background of climate changes can provide references for ecological restoration in arid and semi-arid areas. In this study, we used the Global Inventory Modeling and Mapping Studies （GIMMS） NDVI data from 1982 to 2006 and Moderate Resolution Imaging Spectroradiometer （MODIS） NDVI data from 2000 to 2013 to reveal the dynamics of desert vegetation in Hexi region of Northwest China over the past three decades. We also used the annual temperature and precipitation data acquired from the Chinese meteorological stations to analyze the response of desert vegetation to climatic variations. The average value of NDVImax （the maximum NDVI during the growing season） for desert vegetation in Hexi region increased at the rate of 0.65x10-3/a （P〈0.05） from 1982 to 2013, and the significant increases of NDVImax mainly appeared in the typical desert vegetation areas. Vegetation was significantly improved in the lower reaches of Shule and Shiyang river basins, and the weighted mean center of desert vegetation mainly shifted toward the lower reaches of the two basins. Almost 95.32% of the total desert vegetation area showed positive correlation between NDVImax and annual precipitation, indicating that precipitation is the key factor for desert vegetation growth in the entire study area. Moreover, the areas with non-significant positive correlation between NDVImax and annual precipitation mainly located in the lower reaches of Shiyang and Shule river basins, this may be due to human activities. Only 7.64% of the desert vegetation showed significant positive correlation between NDVImax and annual precipitation in the Shule River Basin （an extremely arid area）, indicating that precipitation is not the most important factor for vegetation growth in this basin, and further studies are needed to investigate the mechanism for this phenomenon.展开更多
Lake surface water temperature （SWT） is an important indicator of lake state relative to its water chemistry and aquatic ecosystem,in addition to being an important regional climate indicator.However,few literatures...Lake surface water temperature （SWT） is an important indicator of lake state relative to its water chemistry and aquatic ecosystem,in addition to being an important regional climate indicator.However,few literatures involving spatial-temporal changes of lake SWT in the Qinghai-Tibet Plateau,including Qinghai Lake,are available.Our objective is to study the spatial-temporal changes in SWT of Qinghai Lake from 2001 to 2010,using Moderate-resolution Imaging Spectroradiometer （MODIS） data.Based on each pixel,we calculated the temporal SWT variations and long-term trends,compared the spatial patterns of annual average SWT in different years,and mapped and analyzed the seasonal cycles of the spatial patterns of SWT.The results revealed that the differences between the average daily SWT and air temperature during the temperature decreasing phase were relatively larger than those during the temperature increasing phase.The increasing rate of the annual average SWT during the study period was about 0.01℃/a,followed by an increasing rate of about 0.05℃/a in annual average air temperature.The annual average SWT from 2001 to 2010 showed similar spatial patterns,while the SWT spatial changes from January to December demonstrated an interesting seasonal reversion pattern.The high-temperature area transformed stepwise from the south to the north regions and then back to the south region from January to December,whereas the low-temperature area demonstrated a reversed annual cyclical trace.The spatial-temporal patterns of SWTs were shaped by the topography of the lake basin and the distribution of drainages.展开更多
The Qinghai-Tibet Plateau(QTP)has the largest and highest alpine grassland ecosystem in the world,which is considered to be the most sensitive and vulnerable ecosystem to climate change.Its dynamic changes and driving...The Qinghai-Tibet Plateau(QTP)has the largest and highest alpine grassland ecosystem in the world,which is considered to be the most sensitive and vulnerable ecosystem to climate change.Its dynamic changes and driving mechanism have always been widely researched.The Qomolangma National Nature Preserve(QNNP),with the largest altitude difference in the world,was selected as the study area to analyse the spatial-temporal dynamics of grassland coverage and the different characteristics of elevation gradients at the southern slope(SS)and northern slope(NS)with MODIS MOD13Q1 NDVI and MOD11A2 land surface temperature data from 2000to 2019 using the Mann-Kendall trend test and Theil-Sen slope methods.Further,the response mechanism of grassland coverage to climate warming is discussed.The results revealed that from 2000 to 2019,the grassland coverage change in the study area is mainly stable.The increased area proportion of grassland coverage on the southern slope is significantly higher than that on the northern slope,and the decreased area proportion of grassland coverage on the northern slope is significantly greater than that on the southern slope.The change characteristics of grassland coverage in the QNNP exhibit an obvious elevation gradient;the higher the elevation,the greater the increased area proportion of grassland coverage,particularly on the SS.The land surface temperature can be used as a proxy for analysing the temporal and spatial variation trends of air temperature in the QNNP.With the increase of the altitude,the land surface temperature rise rate on both the southern slope and northern slope exhibited an increasing trend,and the sensitivity of grassland coverage to temperature rise was higher on the northern slope.The water condition was the decisive factor for the horizontal and vertical spatial heterogeneity of the dynamic change of grassland coverage,and the melting of glaciers and thawing of permafrost were important sources of water for grassland growth in the QNNP.Climate warming promotes the growth of grassland in areas with a sufficient water supply,but adversely affects the growth of grassland in areas with insufficient water supplies,which will be further intensified by human activities.展开更多
The identification of runoff generating areas (RGAs) within a watershed is a difficult task because of their temporal and spatial behavior. A watershed was selected to investigate the RGAs to determine the factors aff...The identification of runoff generating areas (RGAs) within a watershed is a difficult task because of their temporal and spatial behavior. A watershed was selected to investigate the RGAs to determine the factors affecting spatio-temporally in southern Ontario. The watershed was divided into 8 fields having a Wireless System Network (WSN) and a V-notch weir for flow and soil moisture measurements. The results show that surface runoff is generated by the infiltration excess mechanism in summer and fall, and the saturation excess mechanism in spring. The statistical analysis suggested that the amount of rainfall and rainfall intensity for summer (R2 = 0.63, 0.82) and fall (R2 = 0.74, 0.80), respectively, affected the RGAs. The analysis showed that 15% area generated 85% of surface runoff in summer, 100% of runoff in fall, and 40% of runoff in spring. The methodology developed has potential for identifying RGAs for protecting Ontario’s water resources.展开更多
The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of i...The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of its influence on fluid migration are of crucial importance.While previous studies have revealed that salinity changes can modulate fluid migration,the underlying mechanisms remain poorly understood.We employ molecular dynamics simulations to elucidate how salinity variations in ore-forming fluids modulate the adsorption onto calcite nanopore walls,thereby revealing the microscopic mechanisms governing ore fluid transport through calcite nano-fractures.The results show that the adsorption energy Eint of the solution on the calcite surface increased from -14,948.84±182.48 kcal/mol to -12,144.08±118.2 kcal/mol as salinity increased,which is conducive to the long-range transport of the fluid in the calcite nanopore.展开更多
The equilibrium dynamics and nonlinear rheology of unentangled polymer blends remain inadequately understood,especially regarding the influence of short-chain matrix length N_(S) on the structure and rheological behav...The equilibrium dynamics and nonlinear rheology of unentangled polymer blends remain inadequately understood,especially regarding the influence of short-chain matrix length N_(S) on the structure and rheological behavior of dispersed long chains.Using molecular dynamics simulations based on the Kremer-Grest model,we systematically explore the N_(S)-dependence of static conformations,equilibrium dynamics,and nonlinear shear responses in unentangled long-chain/short-chain polymer blends.Our results demonstrate a decoupling between the static and dynamic sensitivity to N_(S):while the static chain size,R_g,follows Flory theory with slight swelling at small N_(S) due to incomplete excluded volume screening,the diffusion coefficient,D,and the relaxation time,τ_(0),exhibit a strong,non-monotonic N_(S)-dependence,transitioning from monomeric friction dominance at small N_(S) to collective segmental rearrangement at large N_(S).Additionally,we observe partial decoupling between the viscous and normal stress responses:while the zero-shear viscosity,η,is strongly N_(S)-dependent,the first and second normal stress coefficients,Ψ_(1) and Ψ_(2),collapse onto universal curves when scaled by the dimensionless shear rate,γτ_(0),suggesting a common mechanism of orientation and stretching.Under shear,long chains compress in the vorticity direction λ_(z)~Wi^(-0.2),which reduces collision frequency and contributes to shear thinning,while the scaling of weaker orientation resistance m_(G)~Wi^(0.35)reflects hydrodynamic screening by the short-chain matrix.These findings highlight the limitations of single-chain models and emphasize the necessity of considering N_(S)-dependent matrix dynamics and flow-induced structural changes in understanding the rheology of unentangled polymer blends.展开更多
In response to the increasing demand for hadron therapy facilities,significant efforts have been directed toward enhancing the performance of high-gradient and high-transmission injectors for light ion beams.For carbo...In response to the increasing demand for hadron therapy facilities,significant efforts have been directed toward enhancing the performance of high-gradient and high-transmission injectors for light ion beams.For carbon ion irradiations,which offer greater radiobiological efficiency in tumor treatment,recent research has focused on developing high-production sources of fully stripped C^(6+)ions and highly compact,high-frequency RFQ cavities.This study explores the design possibilities of a carbon ion acceleration section using 750 MHz Interdigital H-mode Drift Tube Linacs(IH-DTLs)as a high-efficiency solution for accelerating ions in the 5-10 MeV per nucleon energy range.A particle-tracking routine based on the TRAVEL code was developed to design the acceleration line through a tailored KONUS-type configuration.Three design solutions were proposed and compared,exploring different alternatives regarding the use of a MEBT to match the output beam phase space of the RFQ to the optics of the line,as well as varying considerations for magnetic systems to focus the beam.Additionally,the compatibility of the proposed solutions with the existing design of the carbon ion bent-linac for hadron therapy was assessed.展开更多
THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between c...THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between crystallographic orientation,grain boundary(GB)proximity,and pore characteristics(size/location).This study compares single-crystal nickel models along[100],[110],and[111]orientations with equiaxed polycrystalline models containing 0,1,and 2.5 nm pores in surface and subsurface configurations.Our results reveal that crystallographic anisotropy manifests as a 24.4%higher elastic modulus and 22.2%greater hardness in[111]-oriented single crystals compared to[100].Pore-GB synergistic effects are found to dominate the deformation behavior:2.5 nm subsurface pores reduce hardness by 25.2%through stress concentration and dislocation annihilation at GBs,whereas surface pores enable mechanical recovery via accelerated dislocation generation post-collapse.Additionally,size-dependent deformation regimes were identified,with 1 nm pores inducing negligible perturbation due to rapid atomic rearrangement,in contrast with persistent softening in 2.5 nm pores.These findings establish atomic-scale design principles for defect engineering in nickel-based aerospace components,demonstrating how crystallographic orientation,pore configuration,and GB interactions collectively govern nanoindentation behavior.展开更多
In this study,we perform particle-resolved simulations of settling spheroidal particles,considering oblate and prolate spheroids and spheres,and investigate the shape effect on the particle dynamics in suspensions wit...In this study,we perform particle-resolved simulations of settling spheroidal particles,considering oblate and prolate spheroids and spheres,and investigate the shape effect on the particle dynamics in suspensions with volume fraction 1%and 5%.We first examine the single-point statistics of the translational and rotational motion of the settling particles.The horizontal velocity has a symmetrical distribution with standard deviation dependent on the particle shape.The greater horizontal velocity fluctuations of the non-spherical particles,compared to that of spheres,are attributed to the horizontal drift of settling spheroids with oblique orientations induced by the fluid-particle and particle-particle interactions.The fluctuation of particle vertical velocity,instead,is skewed under the effect of wake-induced hydrodynamic interactions.Further,we explore the particle pair statistics,which demonstrate the formation of column-like particle micro-structures for the lowest volume fraction considered.This clustering is more pronounced for spheroidal particles than spheres,due to the stronger attractions among vertically-aligned settling spheroids.Moreover,the particle pair statistics are directly related to the collision rate among the dispersed particles.The local accumulation of oblate/prolate spheroids serves as the major mechanism to promote the particle-particle collisions in dilute suspensions.展开更多
Industrial robot dynamics lay the foundation for high-precision and high-speed control, and accurate identification of dynamic parameters is essential for precise dynamic calculations. The choice of friction models is...Industrial robot dynamics lay the foundation for high-precision and high-speed control, and accurate identification of dynamic parameters is essential for precise dynamic calculations. The choice of friction models is a critical component in the identification of industrial robot dynamics. Traditional static friction models struggle to capture the hysteresis effects caused by robot joint elasticity and clearances, leading to large torque prediction errors when the joint velocity crosses zero. Due to the presence of hysteresis effects, the joint velocity crosses zero in the forward direction, and the reverse direction will have different friction patterns. Although the hysteresis effects can be modeled as an ordinary differential equation(ODE), it is difficult to determine the ODE structure that achieves both generalization and accuracy to describe the hysteresis effects of the friction model. To address this issue, we propose the neural hysteresis friction(NHF), which uses neural ODE to model the hysteresis effects in a data-driven manner, thereby mitigating the current inadequacies in the study of dynamic friction characteristics. The experiments on a real 6-axis industrial robot demonstrate that our proposed method can accurately model the friction dynamics during directional switching and outperform other modeling methods. Velocity tracking control experiments show that NHF can effectively reduce tracking errors when the velocity crosses zero.展开更多
Mitochondria are central regulators of cellular energy metabolism,redox balance,and survival,and their dysfunction contributes to neurodegenerative,cardiovascular,and metabolic diseases,as well as aging.Beyond its rol...Mitochondria are central regulators of cellular energy metabolism,redox balance,and survival,and their dysfunction contributes to neurodegenerative,cardiovascular,and metabolic diseases,as well as aging.Beyond its role as a circadian hormone,melatonin is now recognized as a key modulator of mitochondrial physiology.This review provides an overview of the mechanisms by which melatonin can preserve mitochondrial function through multifaceted mechanisms.Experimental evidence shows that melatonin enhances the activity of electron transport chain(ETC)complexes,stabilizes the mitochondrial membrane potential(Δψ),and prevents cardiolipin(CL)peroxidation,thereby limiting permeability transition pore(mPTP)opening and cytochrome c release.Through its direct radical scavenging capacity and the upregulation of mitochondrial antioxidant defenses,melatonin protects against oxidative stress(OS)and preserves mitochondrial DNA integrity.Melatonin also regulates mitochondrial dynamics by promoting fusion,restraining excessive fission,and supporting quality control mechanisms such as mitophagy,unfolded protein response(UPR),and proteostasis.Moreover,melatonin influences mitochondrial biogenesis and intercellular communication through tunneling nanotubes(TNTs)and mitokine signaling.Thus,melatonin may represent a promising multifaceted therapeutic strategy for preserving mitochondrial homeostasis in a range of pathological conditions,including neurodegeneration and cardiovascular and metabolic diseases.However,a significant translational gap still remains between the promising preclinical data and the established clinical practice.Therefore,the aim of this review is to provide a comprehensive synthesis of current knowledge on the mechanisms through which melatonin modulates mitochondrial function and to discuss its potential therapeutic implications in neurodegenerative,cardiovascular,and metabolic diseases.展开更多
Photo-assisted lithium–sulfur batteries(PALSBs)offer an eco-friendly solution to address the issue of sluggish reaction kinetics of conventional LSBs.However,designing an efficient photoelectrode for practical implem...Photo-assisted lithium–sulfur batteries(PALSBs)offer an eco-friendly solution to address the issue of sluggish reaction kinetics of conventional LSBs.However,designing an efficient photoelectrode for practical implementation remains a significant challenge.Herein,we construct a free-standing polymer–inorganic hybrid photoelectrode with a direct Z-scheme heterostructure to develop high-efficiency PALSBs.Specifically,polypyrrole(PPy)is in situ vapor-phase polymerized on the surface of N-doped TiO_(2) nanorods supported on carbon cloth(N-TiO_(2)/CC),thereby forming a well-defined p–n heterojunction.This architecture efficiently facilitates the carrier separation of photo-generated electron–hole pairs and significantly enhances carrier transport by creating a built-in electric field.Thus,the PPy@N-TiO_(2)/CC can simultaneously act as a photocatalyst and an electrocatalyst to accelerate the reduction and evolution of sulfur,enabling ultrafast sulfur redox dynamics,as convincingly validated by both theoretical simulations and experimental results.Consequently,the PPy@N-TiO_(2)/CC PALSB achieves a high discharge capacity of 1653 mAh g^(−1),reaching 98.7%of the theoretical value.Furthermore,5 h of photo-charging without external voltage enables the PALSB to deliver a discharge capacity of 333 mAh g^(−1),achieving dual-mode energy harvesting capabilities.This work successfully integrates solar energy conversion and storage within a rechargeable battery system,providing a promising strategy for sustainable energy storage technologies.展开更多
The von Hippel-Lindau tumor suppressor(VHL)has been extensively used to develop degraders targeting numerous proteins of interest.However,studies on the rational design of VHL-proteolysis-targeting chimeras(PROTACs)re...The von Hippel-Lindau tumor suppressor(VHL)has been extensively used to develop degraders targeting numerous proteins of interest.However,studies on the rational design of VHL-proteolysis-targeting chimeras(PROTACs)remain scarce.This study aimed to develop strategies to investigate VHL-recruiting PROTACs connecting with varying attachment sites on VHL ligands,which could be utilized for KRAS^(G12C) degraders development and expanded to additional targets.We developed a molecular dynamics(MD)-based strategy to explore the stability of ternary complexes induced by KRAS^(G12C) PROTACs with four distinct attachment sites of VH032.We found a potent degrader namely YN14-H,linked to hydroxyl group on VH032 benzene ring,exhibited the most superior ability of inducing ternary complexes,reflected by the lowest dissociation constant(Kd)for ternary complex induction and the highest AlphaScreen(AS)-based interaction.YN14-H inhibited cell growth with low nanomolar half maximal inhibitory concentration(IC_(50))and half maximal degradation concentration(DC_(50))values as well as>98%of maximum degradation(D_(max))in NCI-H358 and MIA PaCa-2 cells harboring KRAS^(G12C)-mutation.Mechanistically,YN14-H significantly induced apoptosis and inhibited the migratory capacity.Notably,YN14-H demonstrated favorable pharmacokinetic properties and excellent antitumor activity in vivo.Furthermore,bromodomain-containing protein 7(BRD7)and Bruton tyrosine kinase(BTK)degraders attached to distinct sites on VH032 further verified the rationality and universality of our MD-based strategies.Our findings demonstrated that YN14-H could serve as a promising candidate for the treatment of tumors with KRAS^(G12C)-mutation and present a strategy for the rational design of VHL-recruiting PROTACs that target additional proteins at distinct attachment sites.展开更多
This study uses all-atom molecular dynamics simulations to investigate the dislocation propagation, stress transmission, and mechanical properties in poly(p-phenylene terephthalamide) fibers under uniaxial tension. Th...This study uses all-atom molecular dynamics simulations to investigate the dislocation propagation, stress transmission, and mechanical properties in poly(p-phenylene terephthalamide) fibers under uniaxial tension. The results indicate that the dislocation propagates and the stress transfers not only along the fiber axis but also between adjacent molecular chains through hydrogen bonds, demonstrating their influence on the yield behavior. As the degree of polymerization increases, breakage of covalent bonds and interchain slippage contribute to the yield of fibers together. This work provides theoretical guidance for the design and manufacturing of high-performance fibers.展开更多
In Chin.Phys.B 34114704(2025),Eq.(7)and the associated unit notation were incorrect.The correct ones are present here.Since Eq.(7)is an in-built expression in the simulation package,the correction is purely typographi...In Chin.Phys.B 34114704(2025),Eq.(7)and the associated unit notation were incorrect.The correct ones are present here.Since Eq.(7)is an in-built expression in the simulation package,the correction is purely typographical and does not affect the simulation procedure,numerical results,or the conclusions.展开更多
The airflow mechanics in adult nasal airways,whether healthy or abnormal,are extensively studied and investigated,but the flow mechanics in child nasal airways remain underexplored.This study investigates the airflow ...The airflow mechanics in adult nasal airways,whether healthy or abnormal,are extensively studied and investigated,but the flow mechanics in child nasal airways remain underexplored.This study investigates the airflow mechanics in the child’s nasal upper airway with adenoid hypertrophy,with an adenoid nasopharyngeal ratio(AN of 0.9),under cyclic inhalation and exhalation.An inlet respiratory cycle with three different flow rates(3.2 L/min calm breathing,8.6 L/min normal breathing,and 19.3 L/min intensive breathing)was simulated by using the computational fluid dynamics approach.To better capture the interaction between airflow and the flexible airway tissue,fluid-structure interaction analysis was performed at the normal breathing rate.Comparing the airflow dynamics during inhalation and exhalation,the pressure drops,nasal resistance,and wall shear stress show significant differences in the nasopharyngeal region for all different flow rates.This observation suggests that the inertial effect associated with the transient flow is important during exhalation and inhalation.Furthermore,the considerable temporal variation in flow rate distribution across a specific cross-section of the nasal airway highlights the critical role of transient data in virtual surgery planning and data for clinical decisions.展开更多
Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely orien...Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption.展开更多
文摘Tuberculosis(TB)remained the first leading cause of death from a single infectious agent worldwide in 2023,resulting in nearly twice as many deaths as those caused by the human immunodeficiency virus/acquired immune deficiency syndrome.An estimated 10.8 million TB cases were reported globally in 2023,with approximately 1.25 million associated deaths.In China,which ranks third in the global TB burden,there were approximately 741,000 new cases and 25,000 deaths in 2023^([1]).TB poses a significant threat to human health worldwide.
基金Under the auspices ofthe National Natural Science Foundation of China (No .40301038)
文摘The dynamics of regional convergence include spatial and temporal dimensions. Spatial Markov chain can be used to explore how regions evolve by considering both individual regions and their geographic neighbors. Based on per capita GDP data set of 77 counties from 1978 to 2000, this paper attempts to investigate the spatial-temporal dynamics of regional convergence in Jiangsu. First, traditional Markov matrix for five per capita GDP classes is constructed for later comparison. Moreover, each region’s spatial lag is derived by averaging all its neighbors’ per capita GDP data. Conditioning on per capita GDP class of its spatial lag at the beginning of each year, spatial Markov transition probabilities of each region are calculated accordingly. Quantitatively, for a poor region, the probability of moving upward is 3.3% if it is surrounded by its poor neighbors, and even increases to 18.4% if it is surrounded by its rich neighbors, but it goes down to 6.2% on average if ignoring regional context. For a rich region, the probability of moving down ward is 1.2% if it is surrounded by its rich neighbors, but increases to 3.0% if it is surrounded by its poor neighbors, and averages 1.5% irrespective of regional context. Spatial analysis of regional GDP class transitions indicates those 10 upward moves of both regions and their neighbors are unexceptionally located in the southern Jiangsu, while downward moves of regions or their neighbors are almost in the northern Jiangsu. These empirical results provide a spatial explanation to the "convergence clubs" detected by traditional Markov chain.
基金Under the auspices of Fundamental Research Funds for the Central University(No.310827171012)National Natural Science Foundation of China(No.41971178+4 种基金3167054931170664)National Key Research&Development Program of China(2017YFC0504705)Open Fund of Shaanxi Key Laboratory of Earth Surface System and Environmental Carrying Capacity(No.SKLESS201807)Key Research&Development Program of Shaanxi Province(No.2019SF-245)
文摘The change in land development intensity is an important perspective to reflect the variation in regional social and economic development and spatial differentiation.In this paper,spatial statistical analysis,Ordinary Least Squares(OLS),and Geographically weighted regression(GWR)methods are used to systematically analyse the spatial-temporal characteristics and driving forces of land development intensity for 131 spatial units in the western China from 2000 to 2015.The findings of the study are as follows:1)The land development intensity in the western China has been increasing rapidly.From 2000 to 2015,land development intensity increased by 3.4 times on average.2)The hotspot areas have shifted from central Inner Mongolia,northern Shaanxi and the Beibu Gulf of Guangxi to the Guanzhong Plain and the Chengdu-Chongqing urban agglomeration.The areas of cold spots were mainly concentrated in the Qinghai-Tibet Plateau,Yunnan,and Xinjiang.3)Investment intensity and the natural environment have always been the main drivers of land development intensity in the western China.Investment played a powerful role in promoting land development intensity,while the natural and ecological environment distinctly constrained such development.The effect of the economic factors on land development intensity in the western China has changed,which is reflected in the driving factor of construction land development shifting from economic growth in 2000 to economic structure,especially industrial structure,in 2015.
基金supported by the Opening Foundation of the State Key Laboratory Breeding Base of Desertification and Aeolian Sand Disaster Combating,Gansu Desert Control Research Institute (GSDC201503)the National Natural Science Foundation of China (41271024,31260129,31360204)+1 种基金the Program for Innovative Research Group of Gansu Province,China (1506RJIA155)Lanzhou University for providing Arc GIS technical support in the data processing
文摘Analysis of spatial-temporal variations of desert vegetation under the background of climate changes can provide references for ecological restoration in arid and semi-arid areas. In this study, we used the Global Inventory Modeling and Mapping Studies （GIMMS） NDVI data from 1982 to 2006 and Moderate Resolution Imaging Spectroradiometer （MODIS） NDVI data from 2000 to 2013 to reveal the dynamics of desert vegetation in Hexi region of Northwest China over the past three decades. We also used the annual temperature and precipitation data acquired from the Chinese meteorological stations to analyze the response of desert vegetation to climatic variations. The average value of NDVImax （the maximum NDVI during the growing season） for desert vegetation in Hexi region increased at the rate of 0.65x10-3/a （P〈0.05） from 1982 to 2013, and the significant increases of NDVImax mainly appeared in the typical desert vegetation areas. Vegetation was significantly improved in the lower reaches of Shule and Shiyang river basins, and the weighted mean center of desert vegetation mainly shifted toward the lower reaches of the two basins. Almost 95.32% of the total desert vegetation area showed positive correlation between NDVImax and annual precipitation, indicating that precipitation is the key factor for desert vegetation growth in the entire study area. Moreover, the areas with non-significant positive correlation between NDVImax and annual precipitation mainly located in the lower reaches of Shiyang and Shule river basins, this may be due to human activities. Only 7.64% of the desert vegetation showed significant positive correlation between NDVImax and annual precipitation in the Shule River Basin （an extremely arid area）, indicating that precipitation is not the most important factor for vegetation growth in this basin, and further studies are needed to investigate the mechanism for this phenomenon.
基金supported by the National Basic Research Program of China(2012CB417001)the National Natural Science Foundation of China(41271125)
文摘Lake surface water temperature （SWT） is an important indicator of lake state relative to its water chemistry and aquatic ecosystem,in addition to being an important regional climate indicator.However,few literatures involving spatial-temporal changes of lake SWT in the Qinghai-Tibet Plateau,including Qinghai Lake,are available.Our objective is to study the spatial-temporal changes in SWT of Qinghai Lake from 2001 to 2010,using Moderate-resolution Imaging Spectroradiometer （MODIS） data.Based on each pixel,we calculated the temporal SWT variations and long-term trends,compared the spatial patterns of annual average SWT in different years,and mapped and analyzed the seasonal cycles of the spatial patterns of SWT.The results revealed that the differences between the average daily SWT and air temperature during the temperature decreasing phase were relatively larger than those during the temperature increasing phase.The increasing rate of the annual average SWT during the study period was about 0.01℃/a,followed by an increasing rate of about 0.05℃/a in annual average air temperature.The annual average SWT from 2001 to 2010 showed similar spatial patterns,while the SWT spatial changes from January to December demonstrated an interesting seasonal reversion pattern.The high-temperature area transformed stepwise from the south to the north regions and then back to the south region from January to December,whereas the low-temperature area demonstrated a reversed annual cyclical trace.The spatial-temporal patterns of SWTs were shaped by the topography of the lake basin and the distribution of drainages.
基金supported by the Second Tibetan Plateau Scientific Expedition and Research Program(Grant Nos.2019QZKK0301 and 2019QZKK0307)。
文摘The Qinghai-Tibet Plateau(QTP)has the largest and highest alpine grassland ecosystem in the world,which is considered to be the most sensitive and vulnerable ecosystem to climate change.Its dynamic changes and driving mechanism have always been widely researched.The Qomolangma National Nature Preserve(QNNP),with the largest altitude difference in the world,was selected as the study area to analyse the spatial-temporal dynamics of grassland coverage and the different characteristics of elevation gradients at the southern slope(SS)and northern slope(NS)with MODIS MOD13Q1 NDVI and MOD11A2 land surface temperature data from 2000to 2019 using the Mann-Kendall trend test and Theil-Sen slope methods.Further,the response mechanism of grassland coverage to climate warming is discussed.The results revealed that from 2000 to 2019,the grassland coverage change in the study area is mainly stable.The increased area proportion of grassland coverage on the southern slope is significantly higher than that on the northern slope,and the decreased area proportion of grassland coverage on the northern slope is significantly greater than that on the southern slope.The change characteristics of grassland coverage in the QNNP exhibit an obvious elevation gradient;the higher the elevation,the greater the increased area proportion of grassland coverage,particularly on the SS.The land surface temperature can be used as a proxy for analysing the temporal and spatial variation trends of air temperature in the QNNP.With the increase of the altitude,the land surface temperature rise rate on both the southern slope and northern slope exhibited an increasing trend,and the sensitivity of grassland coverage to temperature rise was higher on the northern slope.The water condition was the decisive factor for the horizontal and vertical spatial heterogeneity of the dynamic change of grassland coverage,and the melting of glaciers and thawing of permafrost were important sources of water for grassland growth in the QNNP.Climate warming promotes the growth of grassland in areas with a sufficient water supply,but adversely affects the growth of grassland in areas with insufficient water supplies,which will be further intensified by human activities.
文摘The identification of runoff generating areas (RGAs) within a watershed is a difficult task because of their temporal and spatial behavior. A watershed was selected to investigate the RGAs to determine the factors affecting spatio-temporally in southern Ontario. The watershed was divided into 8 fields having a Wireless System Network (WSN) and a V-notch weir for flow and soil moisture measurements. The results show that surface runoff is generated by the infiltration excess mechanism in summer and fall, and the saturation excess mechanism in spring. The statistical analysis suggested that the amount of rainfall and rainfall intensity for summer (R2 = 0.63, 0.82) and fall (R2 = 0.74, 0.80), respectively, affected the RGAs. The analysis showed that 15% area generated 85% of surface runoff in summer, 100% of runoff in fall, and 40% of runoff in spring. The methodology developed has potential for identifying RGAs for protecting Ontario’s water resources.
基金financed jointly by the National Major Science and Technology Special Project on Deep Earth Exploration(2024ZD1001701-5)the National Natural Science Foundation of China(42472127,42172086)+2 种基金the Yunnan Major Project of Basic Research(202401BN070001-002)Yunnan Mineral Resources Prediction and Evaluation Engineering Research Center(2011)Innovation Team Program of Kunming University of Science and Technology,Yunnan Province。
文摘The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of its influence on fluid migration are of crucial importance.While previous studies have revealed that salinity changes can modulate fluid migration,the underlying mechanisms remain poorly understood.We employ molecular dynamics simulations to elucidate how salinity variations in ore-forming fluids modulate the adsorption onto calcite nanopore walls,thereby revealing the microscopic mechanisms governing ore fluid transport through calcite nano-fractures.The results show that the adsorption energy Eint of the solution on the calcite surface increased from -14,948.84±182.48 kcal/mol to -12,144.08±118.2 kcal/mol as salinity increased,which is conducive to the long-range transport of the fluid in the calcite nanopore.
基金financially supported by the National Natural Science Foundation of China(Nos.22341304,22303100 and 12205270)the National Key R&D Program of China(Nos.2023YFA1008800 and 2020YFA0713601)the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDC0180303)。
文摘The equilibrium dynamics and nonlinear rheology of unentangled polymer blends remain inadequately understood,especially regarding the influence of short-chain matrix length N_(S) on the structure and rheological behavior of dispersed long chains.Using molecular dynamics simulations based on the Kremer-Grest model,we systematically explore the N_(S)-dependence of static conformations,equilibrium dynamics,and nonlinear shear responses in unentangled long-chain/short-chain polymer blends.Our results demonstrate a decoupling between the static and dynamic sensitivity to N_(S):while the static chain size,R_g,follows Flory theory with slight swelling at small N_(S) due to incomplete excluded volume screening,the diffusion coefficient,D,and the relaxation time,τ_(0),exhibit a strong,non-monotonic N_(S)-dependence,transitioning from monomeric friction dominance at small N_(S) to collective segmental rearrangement at large N_(S).Additionally,we observe partial decoupling between the viscous and normal stress responses:while the zero-shear viscosity,η,is strongly N_(S)-dependent,the first and second normal stress coefficients,Ψ_(1) and Ψ_(2),collapse onto universal curves when scaled by the dimensionless shear rate,γτ_(0),suggesting a common mechanism of orientation and stretching.Under shear,long chains compress in the vorticity direction λ_(z)~Wi^(-0.2),which reduces collision frequency and contributes to shear thinning,while the scaling of weaker orientation resistance m_(G)~Wi^(0.35)reflects hydrodynamic screening by the short-chain matrix.These findings highlight the limitations of single-chain models and emphasize the necessity of considering N_(S)-dependent matrix dynamics and flow-induced structural changes in understanding the rheology of unentangled polymer blends.
基金Project co-funded by European Union in the context of the precommercial public procurement of RD services managed by CDTI E.P.Eco-funded by the European Regional Development Fund(ERDF)as part of the project for the development of a Compact Linear Accelerator for Hadrontherapy,Exp.CPP 03/2023 AB(DCCPI/OCPI)。
文摘In response to the increasing demand for hadron therapy facilities,significant efforts have been directed toward enhancing the performance of high-gradient and high-transmission injectors for light ion beams.For carbon ion irradiations,which offer greater radiobiological efficiency in tumor treatment,recent research has focused on developing high-production sources of fully stripped C^(6+)ions and highly compact,high-frequency RFQ cavities.This study explores the design possibilities of a carbon ion acceleration section using 750 MHz Interdigital H-mode Drift Tube Linacs(IH-DTLs)as a high-efficiency solution for accelerating ions in the 5-10 MeV per nucleon energy range.A particle-tracking routine based on the TRAVEL code was developed to design the acceleration line through a tailored KONUS-type configuration.Three design solutions were proposed and compared,exploring different alternatives regarding the use of a MEBT to match the output beam phase space of the RFQ to the optics of the line,as well as varying considerations for magnetic systems to focus the beam.Additionally,the compatibility of the proposed solutions with the existing design of the carbon ion bent-linac for hadron therapy was assessed.
基金The National Natural Science Foundation of China(Grant No.12462006)Beijing Institute of Structure and Environment Engineering Joint Innovation Fund(No.BQJJ202414).
文摘THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics(MD)simulations,with a particular focus on the novel interplay between crystallographic orientation,grain boundary(GB)proximity,and pore characteristics(size/location).This study compares single-crystal nickel models along[100],[110],and[111]orientations with equiaxed polycrystalline models containing 0,1,and 2.5 nm pores in surface and subsurface configurations.Our results reveal that crystallographic anisotropy manifests as a 24.4%higher elastic modulus and 22.2%greater hardness in[111]-oriented single crystals compared to[100].Pore-GB synergistic effects are found to dominate the deformation behavior:2.5 nm subsurface pores reduce hardness by 25.2%through stress concentration and dislocation annihilation at GBs,whereas surface pores enable mechanical recovery via accelerated dislocation generation post-collapse.Additionally,size-dependent deformation regimes were identified,with 1 nm pores inducing negligible perturbation due to rapid atomic rearrangement,in contrast with persistent softening in 2.5 nm pores.These findings establish atomic-scale design principles for defect engineering in nickel-based aerospace components,demonstrating how crystallographic orientation,pore configuration,and GB interactions collectively govern nanoindentation behavior.
基金supported by the National Natural Science Foundation of China(Grant Nos.92252104,12388101,and 12472224).
文摘In this study,we perform particle-resolved simulations of settling spheroidal particles,considering oblate and prolate spheroids and spheres,and investigate the shape effect on the particle dynamics in suspensions with volume fraction 1%and 5%.We first examine the single-point statistics of the translational and rotational motion of the settling particles.The horizontal velocity has a symmetrical distribution with standard deviation dependent on the particle shape.The greater horizontal velocity fluctuations of the non-spherical particles,compared to that of spheres,are attributed to the horizontal drift of settling spheroids with oblique orientations induced by the fluid-particle and particle-particle interactions.The fluctuation of particle vertical velocity,instead,is skewed under the effect of wake-induced hydrodynamic interactions.Further,we explore the particle pair statistics,which demonstrate the formation of column-like particle micro-structures for the lowest volume fraction considered.This clustering is more pronounced for spheroidal particles than spheres,due to the stronger attractions among vertically-aligned settling spheroids.Moreover,the particle pair statistics are directly related to the collision rate among the dispersed particles.The local accumulation of oblate/prolate spheroids serves as the major mechanism to promote the particle-particle collisions in dilute suspensions.
基金supported by the National Natural Science Foundation of China (Grant No.52188102)。
文摘Industrial robot dynamics lay the foundation for high-precision and high-speed control, and accurate identification of dynamic parameters is essential for precise dynamic calculations. The choice of friction models is a critical component in the identification of industrial robot dynamics. Traditional static friction models struggle to capture the hysteresis effects caused by robot joint elasticity and clearances, leading to large torque prediction errors when the joint velocity crosses zero. Due to the presence of hysteresis effects, the joint velocity crosses zero in the forward direction, and the reverse direction will have different friction patterns. Although the hysteresis effects can be modeled as an ordinary differential equation(ODE), it is difficult to determine the ODE structure that achieves both generalization and accuracy to describe the hysteresis effects of the friction model. To address this issue, we propose the neural hysteresis friction(NHF), which uses neural ODE to model the hysteresis effects in a data-driven manner, thereby mitigating the current inadequacies in the study of dynamic friction characteristics. The experiments on a real 6-axis industrial robot demonstrate that our proposed method can accurately model the friction dynamics during directional switching and outperform other modeling methods. Velocity tracking control experiments show that NHF can effectively reduce tracking errors when the velocity crosses zero.
文摘Mitochondria are central regulators of cellular energy metabolism,redox balance,and survival,and their dysfunction contributes to neurodegenerative,cardiovascular,and metabolic diseases,as well as aging.Beyond its role as a circadian hormone,melatonin is now recognized as a key modulator of mitochondrial physiology.This review provides an overview of the mechanisms by which melatonin can preserve mitochondrial function through multifaceted mechanisms.Experimental evidence shows that melatonin enhances the activity of electron transport chain(ETC)complexes,stabilizes the mitochondrial membrane potential(Δψ),and prevents cardiolipin(CL)peroxidation,thereby limiting permeability transition pore(mPTP)opening and cytochrome c release.Through its direct radical scavenging capacity and the upregulation of mitochondrial antioxidant defenses,melatonin protects against oxidative stress(OS)and preserves mitochondrial DNA integrity.Melatonin also regulates mitochondrial dynamics by promoting fusion,restraining excessive fission,and supporting quality control mechanisms such as mitophagy,unfolded protein response(UPR),and proteostasis.Moreover,melatonin influences mitochondrial biogenesis and intercellular communication through tunneling nanotubes(TNTs)and mitokine signaling.Thus,melatonin may represent a promising multifaceted therapeutic strategy for preserving mitochondrial homeostasis in a range of pathological conditions,including neurodegeneration and cardiovascular and metabolic diseases.However,a significant translational gap still remains between the promising preclinical data and the established clinical practice.Therefore,the aim of this review is to provide a comprehensive synthesis of current knowledge on the mechanisms through which melatonin modulates mitochondrial function and to discuss its potential therapeutic implications in neurodegenerative,cardiovascular,and metabolic diseases.
基金the financial support from the National Natural Science Foundation of China (22109127)the Chinese Postdoctoral Science Foundation (2021M702666)+2 种基金the Research Fund of the State Key Laboratory of Solidification Processing (NPU),China (Grant No.2023-TS-02)The financial support from the Youth Project of"Shaanxi High-level Talents Introduction Plan"the Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) are also sincerely appreciated
文摘Photo-assisted lithium–sulfur batteries(PALSBs)offer an eco-friendly solution to address the issue of sluggish reaction kinetics of conventional LSBs.However,designing an efficient photoelectrode for practical implementation remains a significant challenge.Herein,we construct a free-standing polymer–inorganic hybrid photoelectrode with a direct Z-scheme heterostructure to develop high-efficiency PALSBs.Specifically,polypyrrole(PPy)is in situ vapor-phase polymerized on the surface of N-doped TiO_(2) nanorods supported on carbon cloth(N-TiO_(2)/CC),thereby forming a well-defined p–n heterojunction.This architecture efficiently facilitates the carrier separation of photo-generated electron–hole pairs and significantly enhances carrier transport by creating a built-in electric field.Thus,the PPy@N-TiO_(2)/CC can simultaneously act as a photocatalyst and an electrocatalyst to accelerate the reduction and evolution of sulfur,enabling ultrafast sulfur redox dynamics,as convincingly validated by both theoretical simulations and experimental results.Consequently,the PPy@N-TiO_(2)/CC PALSB achieves a high discharge capacity of 1653 mAh g^(−1),reaching 98.7%of the theoretical value.Furthermore,5 h of photo-charging without external voltage enables the PALSB to deliver a discharge capacity of 333 mAh g^(−1),achieving dual-mode energy harvesting capabilities.This work successfully integrates solar energy conversion and storage within a rechargeable battery system,providing a promising strategy for sustainable energy storage technologies.
基金supported by National Natural Science Foundation of China(No.82404417)State Key Laboratory of National Security Specially Needed Medicines Program(No.LTMC2022Zz006).
文摘The von Hippel-Lindau tumor suppressor(VHL)has been extensively used to develop degraders targeting numerous proteins of interest.However,studies on the rational design of VHL-proteolysis-targeting chimeras(PROTACs)remain scarce.This study aimed to develop strategies to investigate VHL-recruiting PROTACs connecting with varying attachment sites on VHL ligands,which could be utilized for KRAS^(G12C) degraders development and expanded to additional targets.We developed a molecular dynamics(MD)-based strategy to explore the stability of ternary complexes induced by KRAS^(G12C) PROTACs with four distinct attachment sites of VH032.We found a potent degrader namely YN14-H,linked to hydroxyl group on VH032 benzene ring,exhibited the most superior ability of inducing ternary complexes,reflected by the lowest dissociation constant(Kd)for ternary complex induction and the highest AlphaScreen(AS)-based interaction.YN14-H inhibited cell growth with low nanomolar half maximal inhibitory concentration(IC_(50))and half maximal degradation concentration(DC_(50))values as well as>98%of maximum degradation(D_(max))in NCI-H358 and MIA PaCa-2 cells harboring KRAS^(G12C)-mutation.Mechanistically,YN14-H significantly induced apoptosis and inhibited the migratory capacity.Notably,YN14-H demonstrated favorable pharmacokinetic properties and excellent antitumor activity in vivo.Furthermore,bromodomain-containing protein 7(BRD7)and Bruton tyrosine kinase(BTK)degraders attached to distinct sites on VH032 further verified the rationality and universality of our MD-based strategies.Our findings demonstrated that YN14-H could serve as a promising candidate for the treatment of tumors with KRAS^(G12C)-mutation and present a strategy for the rational design of VHL-recruiting PROTACs that target additional proteins at distinct attachment sites.
基金financially supported by the National Natural Science Foundation of China(Nos.22473105 and 22341302).
文摘This study uses all-atom molecular dynamics simulations to investigate the dislocation propagation, stress transmission, and mechanical properties in poly(p-phenylene terephthalamide) fibers under uniaxial tension. The results indicate that the dislocation propagates and the stress transfers not only along the fiber axis but also between adjacent molecular chains through hydrogen bonds, demonstrating their influence on the yield behavior. As the degree of polymerization increases, breakage of covalent bonds and interchain slippage contribute to the yield of fibers together. This work provides theoretical guidance for the design and manufacturing of high-performance fibers.
文摘In Chin.Phys.B 34114704(2025),Eq.(7)and the associated unit notation were incorrect.The correct ones are present here.Since Eq.(7)is an in-built expression in the simulation package,the correction is purely typographical and does not affect the simulation procedure,numerical results,or the conclusions.
基金supported by the National Key Research and Development Program of China(Grant No.2022YFF0707601).
文摘The airflow mechanics in adult nasal airways,whether healthy or abnormal,are extensively studied and investigated,but the flow mechanics in child nasal airways remain underexplored.This study investigates the airflow mechanics in the child’s nasal upper airway with adenoid hypertrophy,with an adenoid nasopharyngeal ratio(AN of 0.9),under cyclic inhalation and exhalation.An inlet respiratory cycle with three different flow rates(3.2 L/min calm breathing,8.6 L/min normal breathing,and 19.3 L/min intensive breathing)was simulated by using the computational fluid dynamics approach.To better capture the interaction between airflow and the flexible airway tissue,fluid-structure interaction analysis was performed at the normal breathing rate.Comparing the airflow dynamics during inhalation and exhalation,the pressure drops,nasal resistance,and wall shear stress show significant differences in the nasopharyngeal region for all different flow rates.This observation suggests that the inertial effect associated with the transient flow is important during exhalation and inhalation.Furthermore,the considerable temporal variation in flow rate distribution across a specific cross-section of the nasal airway highlights the critical role of transient data in virtual surgery planning and data for clinical decisions.
基金supported by the National Natural Science Foundation of China (Grant No.11574244 for G.Y.G.)the XJTU Research Fund for AI Science (Grant No.2025YXYC011 for G.Y.G.)the Hong Kong Global STEM Professorship Scheme (for X.C.Z.)。
文摘Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption.
