The hybrid CO_(2) thermal technique has achieved considerable success globally in extracting residual heavy oil from reserves following a long-term steam stimulation process.Using microscopic visualization experiments...The hybrid CO_(2) thermal technique has achieved considerable success globally in extracting residual heavy oil from reserves following a long-term steam stimulation process.Using microscopic visualization experiments and molecular dynamics(MD)simulations,this study investigates the microscopic enhanced oil recovery(EOR)mechanisms underlying residual oil removal using hybrid CO_(2) thermal systems.Based on the experimental models for the occurrence of heavy oil,this study evaluates the performance of hybrid CO_(2) thermal systems under various conditions using MD simulations.The results demonstrate that introducing CO_(2) molecules into heavy oil can effectively penetrate and decompose dense aggregates that are originally formed on hydrophobic surfaces.A stable miscible hybrid CO_(2) thermal system,with a high effective distribution ratio of CO_(2),proficiently reduces the interaction energies between heavy oil and rock surfaces,as well as within heavy oil.A visualization analysis of the interactions reveals that strong van der Waals(vdW)attractions occur between CO_(2) and heavy oil molecules,effectively promoting the decomposition and swelling of heavy oil.This unlocks the residual oil on the hydrophobic surfaces.Considering the impacts of temperature and CO_(2) concentration,an optimal gas-to-steam injection ratio(here,the CO_(2):steam ratio)ranging between 1:6 and 1:9 is recommended.This study examines the microscopic mechanisms underlying the hybrid CO_(2) thermal technique at a molecular scale,providing a significant theoretical guide for its expanded application in EOR.展开更多
Rehabilitation training is believed to be an effectual strategy that canreduce the risk of dysfunction caused by spasticity.However,achieving visualizationrehabilitation training for patients remains clinically challe...Rehabilitation training is believed to be an effectual strategy that canreduce the risk of dysfunction caused by spasticity.However,achieving visualizationrehabilitation training for patients remains clinically challenging.Herein,wepropose visual rehabilitation training system including iontronic meta-fabrics withskin-friendly and large matrix features,as well as high-resolution image modules fordistribution of human muscle tension.Attributed to the dynamic connection and dissociationof the meta-fabric,the fabric exhibits outstanding tactile sensing properties,such as wide tactile sensing range(0~300 kPa)and high-resolution tactile perception(50 Pa or 0.058%).Meanwhile,thanks to the differential capillary effect,the meta-fabric exhibits a“hitting three birds with one stone”property(dryness wearing experience,long working time and cooling sensing).Based on this,the fabrics can be integrated with garmentsand advanced data analysis systems to manufacture a series of large matrix structure(40×40,1600 sensing units)training devices.Significantly,the tunability of piezo-ionic dynamics of the meta-fabric and the programmability of high-resolution imaging modules allowthis visualization training strategy extendable to various common disease monitoring.Therefore,we believe that our study overcomes theconstraint of standard spasticity rehabilitation training devices in terms of visual display and paves the way for future smart healthcare.展开更多
Reaction dynamics in gases at operating temperatures at the atomic level are the basis of heterogeneous gas-solid catalyst reactions and are crucial to the catalyst function.Supported noble metal nanocatalysts such as...Reaction dynamics in gases at operating temperatures at the atomic level are the basis of heterogeneous gas-solid catalyst reactions and are crucial to the catalyst function.Supported noble metal nanocatalysts such as platinum are of interest in fuel cells and as diesel oxidation catalysts for pollution control,and practical ruthenium nanocatalysts are explored for ammonia synthesis.Graphite and graphitic carbons are of interest as supports for the nanocatalysts.Despite considerable literature on the catalytic processes on graphite and graphitic supports,reaction dynamics of the nanocatalysts on the supports in different reactive gas environments and operating temperatures at the single atom level are not well understood.Here we present real time in-situ observations and analyses of reaction dynamics of Pt in oxidation,and practical Ru nanocatalysts in ammonia synthesis,on graphite and related supports under controlled reaction environments using a novel in-situ environmental(scanning) transmission electron microscope with single atom resolution.By recording snapshots of the reaction dynamics,the behaviour of the catalysts is imaged.The images reveal single metal atoms,clusters of a few atoms on the graphitic supports and the support function.These all play key roles in the mobility,sintering and growth of the catalysts.The experimental findings provide new structural insights into atomic scale reaction dynamics,morphology and stability of the nanocatalysts.展开更多
We investigate the carrier, phonon, and spin dynamics in the ferromagnetic semiconductor(In,Fe)Sb using ultrafast optical pump-probe spectroscopy. We discover two anomalies near T^(*)(~40 K) and T^(†)(~200 K) in the p...We investigate the carrier, phonon, and spin dynamics in the ferromagnetic semiconductor(In,Fe)Sb using ultrafast optical pump-probe spectroscopy. We discover two anomalies near T^(*)(~40 K) and T^(†)(~200 K) in the photoexcited carrier dynamics, which can be attributed to the electron-spin and spin-lattice scattering processes influenced by the magnetic phase transition and modifications in magnetic anisotropy. The magnetization change can be revealed by the dynamics of coherent acoustic phonon. We also observe abrupt changes in the photoinduced spin dynamics near T^(*)and T^(†), which not only illustrate the spin-related scatterings closely related to the long-range magnetic order, but also reveal the D'yakonov–Perel and Elliott–Yafet mechanisms dominating at temperatures below and above T^(†), respectively. Our findings provide important insights into the nonequilibrium properties of the photoexcited(In,Fe)Sb.展开更多
Purpose： In this paper, we combined the method of co-word analysis and alluvial diagram to detect hot topics and illustrate their dynamics. Design/methodology/approach： Articles in the field of scientometrics were c...Purpose： In this paper, we combined the method of co-word analysis and alluvial diagram to detect hot topics and illustrate their dynamics. Design/methodology/approach： Articles in the field of scientometrics were chosen as research cases in this study. A time-sliced co-word network was generated and then clustered. Afterwards, we generated an alluvial diagram to show dynamic changes of hot topics, including their merges and splits over time. Findings： After analyzing the dynamic changes in the field of scientometrics from 2011 to 2015, we found that two clusters being merged did not mean that the old topics had disappeared and a totally new one had emerged. The topics were possibly still active the following year, but the newer topics had drawn more attention. The changes of hot topics reflected the shift in researchers＇ interests. subdivided and re-merged. For example, several topics as research progressed. Research topics in scientometrics were constantly a cluster involving ＂industry＂ was divided into Research limitations： When examining longer time periods, we encounter the problem of dealing with bigger data sets. Analyzing data year by year would be tedious, but if we combine, e.g. two years into one time slice, important details would be missed. Practical implications： This method can be applied to any research field to illustrate the dynamics of hot topics. It can indicate the promising directions for researchers and provide guidance to decision makers. Originality/value： The use of alluvial diagrams is a distinctive and meaningful approach to detecting hot topics and especially to illustrating their dynamics.展开更多
A digital photographic study of pool boiling with binary mixture Rll（CC13）-Rll3（CCl3CF3） was performed on a horizontal transparent heater at pressure of 0.1MPa. A high speed digital camera was applied to record th...A digital photographic study of pool boiling with binary mixture Rll（CC13）-Rll3（CCl3CF3） was performed on a horizontal transparent heater at pressure of 0.1MPa. A high speed digital camera was applied to record the bubble behaviors in boiling process. Strong effects of composition on bubble departure diameter, deparatre time, nucleation density were observed, which was attributed to the nature of the activation of the boiling surface and mass diffusion effects. The bubble departure diameter, departure period and nucleation density as functions of composition for binary mixtures R 11-R 113 were presented respectively. From the video images, it can be concluded that evaporation of microlayer is very important to the growth of bubble. It is also observed that there is not any liquid recruited into the microlayer below the bubble.展开更多
The integration of renewable energy sources(RESs)with inverter interfaces has fundamentally reshaped power system dynamics,challenging traditional stability analysis frameworks designed for synchronous generator-domin...The integration of renewable energy sources(RESs)with inverter interfaces has fundamentally reshaped power system dynamics,challenging traditional stability analysis frameworks designed for synchronous generator-dominated grids.Conventional classifica-tions,which decouple voltage,frequency,and rotor angle stability,fail to address the emerging strong voltage‒angle coupling effects caused by RES dynamics.This coupling introduces complex oscillation modes and undermines system robustness,neces-sitating novel stability assessment tools.Recent studies focus on eigenvalue distributions and damping redistribution but lack quantitative criteria and interpretative clarity for coupled stability.This work proposes a transient energy-based framework to resolve these gaps.By decomposing transient energy into subsystem-dissipated components and coupling-induced energy exchange,the method establishes stability criteria compatible with a broad variety of inverter-interfaced devices while offering an intuitive energy-based interpretation for engineers.The coupling strength is also quantified by defining the relative coupling strength index,which is directly related to the transient energy interpretation of the coupled stability.Angle‒voltage coupling may induce instability by injecting transient energy into the system,even if the individual phase angle and voltage dynamics themselves are stable.The main contributions include a systematic stability evaluation framework and an energy decomposition approach that bridges theoretical analysis with practical applicability,addressing the urgent need for tools for managing modern power system evolving stability challenges.展开更多
Ring polymers are ubiquitous in various fields including biomaterials,drug release and gene therapy.All of these applications involve the dynamics and diffusion process of ring polymers in a confined environment.By us...Ring polymers are ubiquitous in various fields including biomaterials,drug release and gene therapy.All of these applications involve the dynamics and diffusion process of ring polymers in a confined environment.By using dynamic light scattering(DLS),we discovered a dynamical transition for charged ring polymers with increasing ring concentration in the gel matrix from a diffusive state to a non-diffusive topological frustrated state with a more compact conformation.When the ring polymer size is smaller than the mesh size of the gel matrix,the rings are diffusive at low concentration of 5 g/L.The ring diffusion coefficient in the gel matrix is an order of magnitude smaller than that of rings in solution,obeying the Ogston's model.At high ring concentration of 40 g/L,the collective dynamical behavior of the charged rings exhibits a topologically frustrated non-diffusive state,which may originate from the inter-ring threading with the external confinement from the gel matrix.Based on our previous theoretical work,we also conjectured that in such a non-diffusive state,the ring polymers might adopt a more compact conformation with the overall size exponentν=1/3.展开更多
Molecular dynamics simulations were performed to investigate the sliding dynamics of a small charged ring chain along rigid cyclic diblock polyelectrolyte in catenane immersed in salt solution.We found that both the m...Molecular dynamics simulations were performed to investigate the sliding dynamics of a small charged ring chain along rigid cyclic diblock polyelectrolyte in catenane immersed in salt solution.We found that both the mean-square displacement g_(3)(t)and diffusion coefficient D of ring are influenced by the salt type,electrostatic interaction strength A and salt concentration cs.D first decreases and then increases as A increases when Ais not large.At large A,D decreases with an increase in A owing to the polyelectrolyte charge reversal caused by the aggregation of ions near it.Meanwhile,g_(3)(t)exhibited intermediate oscillating behavior at moderate A in monovalent cation salt solution.The sliding dynamics of ring can be attributed to the free energy landscape for diffusion.According to the potential of mean force(PMF)of ring chain,we found that our simulation results agreed well with the theoretical results of Lifson-Jackson formula.This study can provide a practical model for the diffusion of charged particles in different dielectric and periodic media,and provides a new perspective for regulating the sliding dynamics of mechanically interlocked molecules in electrolyte solutions.展开更多
We consider matter-wave solitons in spin-orbit coupled Bose-Einstein condensates embedded in an optical lattice and study the dynamics of the soliton within the framework of Gross-Pitaevskii equations.We express spin ...We consider matter-wave solitons in spin-orbit coupled Bose-Einstein condensates embedded in an optical lattice and study the dynamics of the soliton within the framework of Gross-Pitaevskii equations.We express spin components of the soliton pair in terms of nonlinear Bloch equations and investigate the effective spin dynamics.It is seen that the effective magnetic field that appears in the Bloch equation is affected by optical lattices,and thus the optical lattice influences the precessional frequency of the spin components.We make use of numerical approaches to investigate the dynamical behavior of density profiles and center-of-mass of the soliton pair in the presence of the optical lattice.It is shown that the spin density is periodically varying due to flipping of spinors between the two states.The amplitude of spin-flipping oscillation increases with lattice strength.We find that the system can also exhibit interesting nonlinear behavior for chosen values of parameters.We present a fixed point analysis to study the effects of optical lattices on the nonlinear dynamics of the spin components.It is seen that the optical lattice can act as a control parameter to change the dynamical behavior of the spin components from periodic to chaotic.展开更多
Portal vein stenosis is one of the common complications after liver transplantation in children.Accurate hemodynamic assessment is crucial for predicting the risk of complications after liver transplantation.In order ...Portal vein stenosis is one of the common complications after liver transplantation in children.Accurate hemodynamic assessment is crucial for predicting the risk of complications after liver transplantation.In order to predict the location of portal vein thrombosis after liver transplantation surgery,single-outlet and three-outlet vascular models were reconstructed from computed tomography images by commercial software MIMICS.The velocity field was measured using a 9.4 T magnetic resonance imaging scanner.Based on the experiment data of magnetic resonance velocimetry,computational fluid dynamics was verified,validated and then used to study the pressure and shear stresses on the wall of the two portal vein models.The simulation results can serve for the clinical prediction of early thrombosis after liver transplantation in portal vein.展开更多
With a three-dimensional semiclassical ensemble method, we theoretically investigated the nonsequential double ionization of Ar driven by the spatially inhomogeneous few-cycle negatively chirped laser pulses. Our resu...With a three-dimensional semiclassical ensemble method, we theoretically investigated the nonsequential double ionization of Ar driven by the spatially inhomogeneous few-cycle negatively chirped laser pulses. Our results show that the recollision time window can be precisely controlled within an isolated time interval of several hundred attoseconds, which is useful for understanding the subcycle correlated electron dynamics. More interestingly, the correlated electron momentum distribution (CEMD) exhibits a strong dependence on laser intensity. That is, at lower laser intensity, CEMD is located in the first quadrant. As the laser intensity increases,CEMD shifts almost completely to the second and fourth quadrants, and then gradually to the third quadrant.The underlying physics governing the CEMD's dependence on laser intensity is explained.展开更多
Revealing the structure evolution of interfacial active species during a dynamic catalytic process is a challenging but pivotal issue for the rational design of high-performance catalysts.Here,we successfully prepare ...Revealing the structure evolution of interfacial active species during a dynamic catalytic process is a challenging but pivotal issue for the rational design of high-performance catalysts.Here,we successfully prepare sub-nanometric Pt clusters(~0.8 nm)encapsulated within the defects of CeO_(2)nanorods via an in-situ defect engineering methodology.The as-prepared Pt@d-CeO_(2)catalyst significantly boosts the activity and stability in the water-gas shift(WGS)reaction compared to other analogs.Based on controlled experiments and complementary(in-situ)spectroscopic studies,a reversible encapsulation induced by active site transformation between the Pt^(2+)-terminal hydroxyl and Pt^(δ+)-O vacancy species at the interface is revealed,which enables to evoke the enhanced performance.Our findings not only offer practical guidance for the design of high-efficiency catalysts but also bring a new understanding of the exceptional performance of WGS in a holistic view,which shows a great application potential in materials and catalysis.展开更多
Objective The study of medicine formulas is a core component of traditional Chinese medicine(TCM),yet traditional learning methods often lack interactivity and contextual understanding,making it challenging for beginn...Objective The study of medicine formulas is a core component of traditional Chinese medicine(TCM),yet traditional learning methods often lack interactivity and contextual understanding,making it challenging for beginners to grasp the intricate composition rules of formulas.To address this gap,we introduce Formula-S,a situated visualization method for TCM formula learning in augmented reality(AR)and evaluate its performance.This study aims to evaluate the effectiveness of Formula-S in enhancing TCM formula learning for beginners by comparing it with traditional text-based formula learning and web-based visualization.Methods Formula-S is an interactive AR tool designed for TCM formula learning,featuring three modes(3D,Web,and Table).The dataset included TCM formulas and herb properties extracted from authoritative references,including textbook and the SymMap database.In Formula-S,the hierarchical visualization of the formulas as herbal medicine compositions,is linked to the multidimensional herb attribute visualization and embedded in the real world,where real herb samples are presented.To evaluate its effectiveness,a controlled study(n=30)was conducted.Participants who had no formal TCM knowledge were tasked with herbal medicine identification,formula composition,and recognition.In the study,participants interacted with the AR tool through HoloLens 2.Data were collected on both task performance(accuracy and response time)and user experience,with a focus on task efficiency,accuracy,and user preference across the different learning modes.Results The situated visualization method of Formula-S had comparable accuracy to other methods but shorter response time for herbal formula learning tasks.Regarding user experience,our new approach demonstrated the highest system usability and lowest task load,effectively reducing cognitive load and allowing users to complete tasks with greater ease and efficiency.Participants reported that Formula-S enhanced their learning experience through its intuitive interface and immersive AR environment,suggesting this approach offers usability advantages for TCM education.Conclusions The situated visualization method in Formula-S offers more efficient and accurate searching capabilities compared to traditional and web-based methods.Additionally,it provides superior contextual understanding of TCM formulas,making it a promising new solution for TCM learning.展开更多
Background Hexafluoropropylene oxide dimer acid(GenX),a substitute for per-and polyfluoroalkyl substances,has been widely detected in various environmental matrices and foods recently,attracting great attention.Howeve...Background Hexafluoropropylene oxide dimer acid(GenX),a substitute for per-and polyfluoroalkyl substances,has been widely detected in various environmental matrices and foods recently,attracting great attention.However,a systematic characterization of its reproductive toxicity is still missing.This study aims to explore the male reproductive toxicity caused by GenX exposure and the potential cellular and molecular regulatory mechanisms behind it.Results Normally developing mice were exposed to GenX,and testicular tissue was subsequently analyzed and validated using single-cell RNA sequencing.Our results revealed that GenX induced severe testicular damage,disrupted the balance between undifferentiated and differentiated spermatogonial stem cells,and led to strong variation in the cellular dynamics of spermatogenesis.Furthermore,GenX exposure caused global upregulation of testicular somatic cellular inflammatory responses,increased abnormal macrophage differentiation,and attenuated fibroblast adhesion,disorganizing the somatic-germline interactions.Conclusions In conclusion,this study revealed complex cellular dynamics and transcriptome changes in mouse testis after GenX exposure,providing a valuable resource for understanding its reproductive toxicity.展开更多
With the development of anti-virus technology,malicious documents have gradually become the main pathway of Advanced Persistent Threat(APT)attacks,therefore,the development of effective malicious document classifiers ...With the development of anti-virus technology,malicious documents have gradually become the main pathway of Advanced Persistent Threat(APT)attacks,therefore,the development of effective malicious document classifiers has become particularly urgent.Currently,detection methods based on document structure and behavioral features encounter challenges in feature engineering,these methods not only have limited accuracy,but also consume large resources,and usually can only detect documents in specific formats,which lacks versatility and adaptability.To address such problems,this paper proposes a novel malicious document detection method-visualizing documents as GGE images(Grayscale,Grayscale matrix,Entropy).The GGE method visualizes the original byte sequence of the malicious document as a grayscale image,the information entropy sequence of the document as an entropy image,and at the same time,the grayscale level co-occurrence matrix and the texture and spatial information stored in it are converted into grayscale matrix image,and fuses the three types of images to get the GGE color image.The Convolutional Block Attention Module-EfficientNet-B0(CBAM-EfficientNet-B0)model is then used for classification,combining transfer learning and applying the pre-trained model on the ImageNet dataset to the feature extraction process of GGE images.As shown in the experimental results,the GGE method has superior performance compared with other methods,which is suitable for detecting malicious documents in different formats,and achieves an accuracy of 99.44%and 97.39%on Portable Document Format(PDF)and office datasets,respectively,and consumes less time during the detection process,which can be effectively applied to the task of detecting malicious documents in real-time.展开更多
Due to scale effects,micromechanical resonators offer an excellent platform for investigating the intrinsic mechanisms of nonlinear dynamical phenomena and their potential applications.This review focuses on mode-coup...Due to scale effects,micromechanical resonators offer an excellent platform for investigating the intrinsic mechanisms of nonlinear dynamical phenomena and their potential applications.This review focuses on mode-coupled micromechanical resonators,highlighting the latest advancements in four key areas:internal resonance,synchronization,frequency combs,and mode localization.The origin,development,and potential applications of each of these dynamic phenomena within mode-coupled micromechanical systems are investigated,with the goal of inspiring new ideas and directions for researchers in this field.展开更多
Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating method.In this work,we found these two pre-crystallization proces...Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating method.In this work,we found these two pre-crystallization processes lead to different order of crystallization dynamics within the perovskite thin film,resulting in the differences of additive distribution.We then tailor-designed an additive molecule named 1,3-bis(4-methoxyphenyl)thiourea to obtain films with fewer defects and holes at the buried interface,and prepared perovskite solar cells with a certified efficiency of 23.75%.Furthermore,this work also demonstrates an efficiency of 20.18%for the large-area perovskite solar module(PSM)with an aperture area of 60.84 cm^(2).The PSM possesses remarkable continuous operation stability for maximum power point tracking of T_(90)>1000 h in ambient air.展开更多
BACKGROUND Epidemiological surveys indicate an increasing incidence of type 2 diabetes mellitus(T2DM)among children and adolescents worldwide.Due to rapid disease progression,severe long-term cardiorenal complications...BACKGROUND Epidemiological surveys indicate an increasing incidence of type 2 diabetes mellitus(T2DM)among children and adolescents worldwide.Due to rapid disease progression,severe long-term cardiorenal complications,a lack of effective treatment strategies,and substantial socioeconomic burdens,it has become an urgent public health issue that requires management and resolution.Adolescent T2DM differs from adult T2DM.Despite a significant increase in our understanding of youth-onset T2DM over the past two decades,the related review and evidence-based content remain limited.AIM To visualize the hotspots and trends in pediatric and adolescent T2DM research and to forecast their future research themes.METHODS This study utilized the terms“children”,“adolescents”,and“type 2 diabetes”,retrieving relevant articles published between 1983 and 2023 from three citation databases within the Web of Science Core Collection(SCI,SSCI,ESCI).Utilizing CiteSpace and VoSviewer software,we analyze and visually represent the annual output of literature,countries involved,and participating institutions.This allows us to predict trends in this research field.Our analysis encompasses co-cited authors,journal overlays,citation overlays,time-zone views,keyword analysis,and reference analysis,etc.RESULTS A total of 9210 articles were included,and the annual publication volume in this field showed a steady growth trend.The United States had the highest number of publications and the highest H-index.The United States also had the most research institutions and the strongest research capacity.The global hot journals were primarily diabetes professional journals but also included journals related to nutrition,endocrinology,and metabolism.Keyword analysis showed that research related to endothelial dysfunction,exposure risk,cardiac metabolic risk,changes in gut microbiota,the impact on comorbidities and outcomes,etc.,were emerging keywords.They have maintained their popularity in this field,suggesting that these areas have garnered significant research interest in recent years.CONCLUSION Pediatric and adolescent T2DM is increasingly drawing global attention,with genes,behaviors,environmental factors,and multisystemic interventions potentially emerging as future research hot spots.展开更多
The global energy demand is increasing rapidly,and it is imperative to develop shale hydrocarbon re-sources vigorously.The prerequisite for enhancing the exploitation efficiency of shale reservoirs is the systematic e...The global energy demand is increasing rapidly,and it is imperative to develop shale hydrocarbon re-sources vigorously.The prerequisite for enhancing the exploitation efficiency of shale reservoirs is the systematic elucidation of the occurrence characteristics,flow behavior,and enhanced oil recovery(EOR)mechanisms of shale oil within commonly developed nanopores.Molecular dynamics(MD)technique can simulate the occurrence,flow,and extraction processes of shale oil at the nanoscale,and then quantitatively characterize various fluid properties,flow characteristics,and action mechanisms under different reservoir conditions by calculating and analyzing a series of MD parameters.However,the existing review on the application of MD simulation in shale oil reservoirs is not systematic enough and lacks a summary of technical challenges and solutions.Therefore,recent MD studies on shale oil res-ervoirs were summarized and analyzed.Firstly,the applicability of force fields and ensembles of MD in shale reservoirs with different reservoir conditions and fluid properties was discussed.Subsequently,the calculation methods and application examples of MD parameters characterizing various properties of fluids at the microscale were summarized.Then,the application of MD simulation in the study of shale oil occurrence characteristics,flow behavior,and EOR mechanisms was reviewed,along with the elucidation of corresponding micro-mechanisms.Moreover,influencing factors of pore structure,wall properties,reservoir conditions,fluid components,injection/production parameters,formation water,and inorganic salt ions were analyzed,and some new conclusions were obtained.Finally,the main challenges associated with the application of MD simulations to shale oil reservoirs were discussed,and reasonable prospects for future MD research directions were proposed.The purpose of this review is to provide theoretical basis and methodological support for applying MD simulation to study shale oil reservoirs.展开更多
基金financially supported by the National Natural Science Foundation of China(No.U20B6003)the China Scholarship Council(No.202306440015)a project of the China Petroleum&Chemical Corporation(No.P22174)。
文摘The hybrid CO_(2) thermal technique has achieved considerable success globally in extracting residual heavy oil from reserves following a long-term steam stimulation process.Using microscopic visualization experiments and molecular dynamics(MD)simulations,this study investigates the microscopic enhanced oil recovery(EOR)mechanisms underlying residual oil removal using hybrid CO_(2) thermal systems.Based on the experimental models for the occurrence of heavy oil,this study evaluates the performance of hybrid CO_(2) thermal systems under various conditions using MD simulations.The results demonstrate that introducing CO_(2) molecules into heavy oil can effectively penetrate and decompose dense aggregates that are originally formed on hydrophobic surfaces.A stable miscible hybrid CO_(2) thermal system,with a high effective distribution ratio of CO_(2),proficiently reduces the interaction energies between heavy oil and rock surfaces,as well as within heavy oil.A visualization analysis of the interactions reveals that strong van der Waals(vdW)attractions occur between CO_(2) and heavy oil molecules,effectively promoting the decomposition and swelling of heavy oil.This unlocks the residual oil on the hydrophobic surfaces.Considering the impacts of temperature and CO_(2) concentration,an optimal gas-to-steam injection ratio(here,the CO_(2):steam ratio)ranging between 1:6 and 1:9 is recommended.This study examines the microscopic mechanisms underlying the hybrid CO_(2) thermal technique at a molecular scale,providing a significant theoretical guide for its expanded application in EOR.
基金supported by the National Key Research and Development Program(2022YFB3805800)National Natural Science Foundation of China(52473307,22208178,62301290)+9 种基金Taishan Scholar Program of Shandong Province in China(tsqn202211116)Shandong Provincial Universities Youth Innovation Technology Plan Team(2023KJ223)Natural Science Foundation of Shandong Province of China(ZR2023YQ037,ZR2020QE074,ZR2023QE043,ZR2022QE174)Shandong Province Science and Technology Small and Medium sized Enterprise Innovation Ability Enhancement Project(2023TSGC0344,2023TSGC1006)Natural Science Foundation of Qingdao(23-2-1-249-zyyd-jch,24-4-4-zrjj-56-jch)Anhui Province Postdoctoral Researcher Research Activity Funding Project(2023B706)Qingdao Key Technology Research and Industrialization Demonstration Projects(23-1-7-zdfn-2-hz)Qingdao Shinan District Science and Technology Plan Project(2022-3-005-DZ)Suqian Key Research and Development Plan(H202310)Jinan City-School Integration Development Strategy Project for the Year 2023 under Grant(JNSX2023088).
文摘Rehabilitation training is believed to be an effectual strategy that canreduce the risk of dysfunction caused by spasticity.However,achieving visualizationrehabilitation training for patients remains clinically challenging.Herein,wepropose visual rehabilitation training system including iontronic meta-fabrics withskin-friendly and large matrix features,as well as high-resolution image modules fordistribution of human muscle tension.Attributed to the dynamic connection and dissociationof the meta-fabric,the fabric exhibits outstanding tactile sensing properties,such as wide tactile sensing range(0~300 kPa)and high-resolution tactile perception(50 Pa or 0.058%).Meanwhile,thanks to the differential capillary effect,the meta-fabric exhibits a“hitting three birds with one stone”property(dryness wearing experience,long working time and cooling sensing).Based on this,the fabrics can be integrated with garmentsand advanced data analysis systems to manufacture a series of large matrix structure(40×40,1600 sensing units)training devices.Significantly,the tunability of piezo-ionic dynamics of the meta-fabric and the programmability of high-resolution imaging modules allowthis visualization training strategy extendable to various common disease monitoring.Therefore,we believe that our study overcomes theconstraint of standard spasticity rehabilitation training devices in terms of visual display and paves the way for future smart healthcare.
基金the Engineering and Physical Science Research Council(EPSRC),U.K.for the award of a research grant EP/J0118058/1 and postdoctoral research assistantships(PDRAs) to M.R.W.and R.W.M.from the grant。
文摘Reaction dynamics in gases at operating temperatures at the atomic level are the basis of heterogeneous gas-solid catalyst reactions and are crucial to the catalyst function.Supported noble metal nanocatalysts such as platinum are of interest in fuel cells and as diesel oxidation catalysts for pollution control,and practical ruthenium nanocatalysts are explored for ammonia synthesis.Graphite and graphitic carbons are of interest as supports for the nanocatalysts.Despite considerable literature on the catalytic processes on graphite and graphitic supports,reaction dynamics of the nanocatalysts on the supports in different reactive gas environments and operating temperatures at the single atom level are not well understood.Here we present real time in-situ observations and analyses of reaction dynamics of Pt in oxidation,and practical Ru nanocatalysts in ammonia synthesis,on graphite and related supports under controlled reaction environments using a novel in-situ environmental(scanning) transmission electron microscope with single atom resolution.By recording snapshots of the reaction dynamics,the behaviour of the catalysts is imaged.The images reveal single metal atoms,clusters of a few atoms on the graphitic supports and the support function.These all play key roles in the mobility,sintering and growth of the catalysts.The experimental findings provide new structural insights into atomic scale reaction dynamics,morphology and stability of the nanocatalysts.
基金supported by the National Key R&D Program of China (Grant No. 2024YFA1408502)the National Natural Science Foundation of China (Grant Nos. 92365102, 62027807, 12474107, and 12174383)+1 种基金the Chinese Academy of Sciences project for Yong Scientists in Basic Research (Grant No. YSBR-030)the Guangdong Basic and Applied Basic Research Foundation (Grant No. 2024A1515011600)。
文摘We investigate the carrier, phonon, and spin dynamics in the ferromagnetic semiconductor(In,Fe)Sb using ultrafast optical pump-probe spectroscopy. We discover two anomalies near T^(*)(~40 K) and T^(†)(~200 K) in the photoexcited carrier dynamics, which can be attributed to the electron-spin and spin-lattice scattering processes influenced by the magnetic phase transition and modifications in magnetic anisotropy. The magnetization change can be revealed by the dynamics of coherent acoustic phonon. We also observe abrupt changes in the photoinduced spin dynamics near T^(*)and T^(†), which not only illustrate the spin-related scatterings closely related to the long-range magnetic order, but also reveal the D'yakonov–Perel and Elliott–Yafet mechanisms dominating at temperatures below and above T^(†), respectively. Our findings provide important insights into the nonequilibrium properties of the photoexcited(In,Fe)Sb.
基金supported by the National Social Science Foundation of China (Grant No.: 14BTQ030)
文摘Purpose： In this paper, we combined the method of co-word analysis and alluvial diagram to detect hot topics and illustrate their dynamics. Design/methodology/approach： Articles in the field of scientometrics were chosen as research cases in this study. A time-sliced co-word network was generated and then clustered. Afterwards, we generated an alluvial diagram to show dynamic changes of hot topics, including their merges and splits over time. Findings： After analyzing the dynamic changes in the field of scientometrics from 2011 to 2015, we found that two clusters being merged did not mean that the old topics had disappeared and a totally new one had emerged. The topics were possibly still active the following year, but the newer topics had drawn more attention. The changes of hot topics reflected the shift in researchers＇ interests. subdivided and re-merged. For example, several topics as research progressed. Research topics in scientometrics were constantly a cluster involving ＂industry＂ was divided into Research limitations： When examining longer time periods, we encounter the problem of dealing with bigger data sets. Analyzing data year by year would be tedious, but if we combine, e.g. two years into one time slice, important details would be missed. Practical implications： This method can be applied to any research field to illustrate the dynamics of hot topics. It can indicate the promising directions for researchers and provide guidance to decision makers. Originality/value： The use of alluvial diagrams is a distinctive and meaningful approach to detecting hot topics and especially to illustrating their dynamics.
基金Supported by the National Natural Science Foundation of China (No.10355001) and the Century Programme of ChineseAcademy of Sciences.
文摘A digital photographic study of pool boiling with binary mixture Rll（CC13）-Rll3（CCl3CF3） was performed on a horizontal transparent heater at pressure of 0.1MPa. A high speed digital camera was applied to record the bubble behaviors in boiling process. Strong effects of composition on bubble departure diameter, deparatre time, nucleation density were observed, which was attributed to the nature of the activation of the boiling surface and mass diffusion effects. The bubble departure diameter, departure period and nucleation density as functions of composition for binary mixtures R 11-R 113 were presented respectively. From the video images, it can be concluded that evaporation of microlayer is very important to the growth of bubble. It is also observed that there is not any liquid recruited into the microlayer below the bubble.
基金supported by the Science and Technology Project of China Southern Power Grid Co.,Ltd under Grant 036000KC23090004(GDKJXM20231026).
文摘The integration of renewable energy sources(RESs)with inverter interfaces has fundamentally reshaped power system dynamics,challenging traditional stability analysis frameworks designed for synchronous generator-dominated grids.Conventional classifica-tions,which decouple voltage,frequency,and rotor angle stability,fail to address the emerging strong voltage‒angle coupling effects caused by RES dynamics.This coupling introduces complex oscillation modes and undermines system robustness,neces-sitating novel stability assessment tools.Recent studies focus on eigenvalue distributions and damping redistribution but lack quantitative criteria and interpretative clarity for coupled stability.This work proposes a transient energy-based framework to resolve these gaps.By decomposing transient energy into subsystem-dissipated components and coupling-induced energy exchange,the method establishes stability criteria compatible with a broad variety of inverter-interfaced devices while offering an intuitive energy-based interpretation for engineers.The coupling strength is also quantified by defining the relative coupling strength index,which is directly related to the transient energy interpretation of the coupled stability.Angle‒voltage coupling may induce instability by injecting transient energy into the system,even if the individual phase angle and voltage dynamics themselves are stable.The main contributions include a systematic stability evaluation framework and an energy decomposition approach that bridges theoretical analysis with practical applicability,addressing the urgent need for tools for managing modern power system evolving stability challenges.
基金supported by the National Natural Science Foundation of China(No.22273114)the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB0770101)+1 种基金the National Key R&D Program of China(No.2023YFE0124500),the National Key R&D Program of China(No.2023YFC2411203)International Partnership Program of the Chinese Academy of Sciences(No.027GJHZ2022061FN)。
文摘Ring polymers are ubiquitous in various fields including biomaterials,drug release and gene therapy.All of these applications involve the dynamics and diffusion process of ring polymers in a confined environment.By using dynamic light scattering(DLS),we discovered a dynamical transition for charged ring polymers with increasing ring concentration in the gel matrix from a diffusive state to a non-diffusive topological frustrated state with a more compact conformation.When the ring polymer size is smaller than the mesh size of the gel matrix,the rings are diffusive at low concentration of 5 g/L.The ring diffusion coefficient in the gel matrix is an order of magnitude smaller than that of rings in solution,obeying the Ogston's model.At high ring concentration of 40 g/L,the collective dynamical behavior of the charged rings exhibits a topologically frustrated non-diffusive state,which may originate from the inter-ring threading with the external confinement from the gel matrix.Based on our previous theoretical work,we also conjectured that in such a non-diffusive state,the ring polymers might adopt a more compact conformation with the overall size exponentν=1/3.
基金supported by the National Natural Science Foundation of China(Nos.22173080,22403062,and22363005)the Jiangxi Provincial Natural Science Foundation(No.20202BABL203015)。
文摘Molecular dynamics simulations were performed to investigate the sliding dynamics of a small charged ring chain along rigid cyclic diblock polyelectrolyte in catenane immersed in salt solution.We found that both the mean-square displacement g_(3)(t)and diffusion coefficient D of ring are influenced by the salt type,electrostatic interaction strength A and salt concentration cs.D first decreases and then increases as A increases when Ais not large.At large A,D decreases with an increase in A owing to the polyelectrolyte charge reversal caused by the aggregation of ions near it.Meanwhile,g_(3)(t)exhibited intermediate oscillating behavior at moderate A in monovalent cation salt solution.The sliding dynamics of ring can be attributed to the free energy landscape for diffusion.According to the potential of mean force(PMF)of ring chain,we found that our simulation results agreed well with the theoretical results of Lifson-Jackson formula.This study can provide a practical model for the diffusion of charged particles in different dielectric and periodic media,and provides a new perspective for regulating the sliding dynamics of mechanically interlocked molecules in electrolyte solutions.
文摘We consider matter-wave solitons in spin-orbit coupled Bose-Einstein condensates embedded in an optical lattice and study the dynamics of the soliton within the framework of Gross-Pitaevskii equations.We express spin components of the soliton pair in terms of nonlinear Bloch equations and investigate the effective spin dynamics.It is seen that the effective magnetic field that appears in the Bloch equation is affected by optical lattices,and thus the optical lattice influences the precessional frequency of the spin components.We make use of numerical approaches to investigate the dynamical behavior of density profiles and center-of-mass of the soliton pair in the presence of the optical lattice.It is shown that the spin density is periodically varying due to flipping of spinors between the two states.The amplitude of spin-flipping oscillation increases with lattice strength.We find that the system can also exhibit interesting nonlinear behavior for chosen values of parameters.We present a fixed point analysis to study the effects of optical lattices on the nonlinear dynamics of the spin components.It is seen that the optical lattice can act as a control parameter to change the dynamical behavior of the spin components from periodic to chaotic.
基金the Interdisciplinary Program of Shanghai Jiao Tong University(No.YG2021QN36)the National Natural Science Foundation of China(Nos.82000615 and 52106050)the Natural Science Foundation of Shanghai(No.21ZR1431800)。
文摘Portal vein stenosis is one of the common complications after liver transplantation in children.Accurate hemodynamic assessment is crucial for predicting the risk of complications after liver transplantation.In order to predict the location of portal vein thrombosis after liver transplantation surgery,single-outlet and three-outlet vascular models were reconstructed from computed tomography images by commercial software MIMICS.The velocity field was measured using a 9.4 T magnetic resonance imaging scanner.Based on the experiment data of magnetic resonance velocimetry,computational fluid dynamics was verified,validated and then used to study the pressure and shear stresses on the wall of the two portal vein models.The simulation results can serve for the clinical prediction of early thrombosis after liver transplantation in portal vein.
基金supported by the National Natural Science Foundation of China (Grant No. 12074329)Nanhu Scholars Program for Young Scholars of Xinyang Normal University。
文摘With a three-dimensional semiclassical ensemble method, we theoretically investigated the nonsequential double ionization of Ar driven by the spatially inhomogeneous few-cycle negatively chirped laser pulses. Our results show that the recollision time window can be precisely controlled within an isolated time interval of several hundred attoseconds, which is useful for understanding the subcycle correlated electron dynamics. More interestingly, the correlated electron momentum distribution (CEMD) exhibits a strong dependence on laser intensity. That is, at lower laser intensity, CEMD is located in the first quadrant. As the laser intensity increases,CEMD shifts almost completely to the second and fourth quadrants, and then gradually to the third quadrant.The underlying physics governing the CEMD's dependence on laser intensity is explained.
文摘Revealing the structure evolution of interfacial active species during a dynamic catalytic process is a challenging but pivotal issue for the rational design of high-performance catalysts.Here,we successfully prepare sub-nanometric Pt clusters(~0.8 nm)encapsulated within the defects of CeO_(2)nanorods via an in-situ defect engineering methodology.The as-prepared Pt@d-CeO_(2)catalyst significantly boosts the activity and stability in the water-gas shift(WGS)reaction compared to other analogs.Based on controlled experiments and complementary(in-situ)spectroscopic studies,a reversible encapsulation induced by active site transformation between the Pt^(2+)-terminal hydroxyl and Pt^(δ+)-O vacancy species at the interface is revealed,which enables to evoke the enhanced performance.Our findings not only offer practical guidance for the design of high-efficiency catalysts but also bring a new understanding of the exceptional performance of WGS in a holistic view,which shows a great application potential in materials and catalysis.
文摘Objective The study of medicine formulas is a core component of traditional Chinese medicine(TCM),yet traditional learning methods often lack interactivity and contextual understanding,making it challenging for beginners to grasp the intricate composition rules of formulas.To address this gap,we introduce Formula-S,a situated visualization method for TCM formula learning in augmented reality(AR)and evaluate its performance.This study aims to evaluate the effectiveness of Formula-S in enhancing TCM formula learning for beginners by comparing it with traditional text-based formula learning and web-based visualization.Methods Formula-S is an interactive AR tool designed for TCM formula learning,featuring three modes(3D,Web,and Table).The dataset included TCM formulas and herb properties extracted from authoritative references,including textbook and the SymMap database.In Formula-S,the hierarchical visualization of the formulas as herbal medicine compositions,is linked to the multidimensional herb attribute visualization and embedded in the real world,where real herb samples are presented.To evaluate its effectiveness,a controlled study(n=30)was conducted.Participants who had no formal TCM knowledge were tasked with herbal medicine identification,formula composition,and recognition.In the study,participants interacted with the AR tool through HoloLens 2.Data were collected on both task performance(accuracy and response time)and user experience,with a focus on task efficiency,accuracy,and user preference across the different learning modes.Results The situated visualization method of Formula-S had comparable accuracy to other methods but shorter response time for herbal formula learning tasks.Regarding user experience,our new approach demonstrated the highest system usability and lowest task load,effectively reducing cognitive load and allowing users to complete tasks with greater ease and efficiency.Participants reported that Formula-S enhanced their learning experience through its intuitive interface and immersive AR environment,suggesting this approach offers usability advantages for TCM education.Conclusions The situated visualization method in Formula-S offers more efficient and accurate searching capabilities compared to traditional and web-based methods.Additionally,it provides superior contextual understanding of TCM formulas,making it a promising new solution for TCM learning.
基金supported by the Guangdong Provincial Key Area Research and Development Program[grant number 2022B0202090002]China Postdoctoral Science Foundation[grant number 2024M760977].
文摘Background Hexafluoropropylene oxide dimer acid(GenX),a substitute for per-and polyfluoroalkyl substances,has been widely detected in various environmental matrices and foods recently,attracting great attention.However,a systematic characterization of its reproductive toxicity is still missing.This study aims to explore the male reproductive toxicity caused by GenX exposure and the potential cellular and molecular regulatory mechanisms behind it.Results Normally developing mice were exposed to GenX,and testicular tissue was subsequently analyzed and validated using single-cell RNA sequencing.Our results revealed that GenX induced severe testicular damage,disrupted the balance between undifferentiated and differentiated spermatogonial stem cells,and led to strong variation in the cellular dynamics of spermatogenesis.Furthermore,GenX exposure caused global upregulation of testicular somatic cellular inflammatory responses,increased abnormal macrophage differentiation,and attenuated fibroblast adhesion,disorganizing the somatic-germline interactions.Conclusions In conclusion,this study revealed complex cellular dynamics and transcriptome changes in mouse testis after GenX exposure,providing a valuable resource for understanding its reproductive toxicity.
基金supported by the Natural Science Foundation of Henan Province(Grant No.242300420297)awarded to Yi Sun.
文摘With the development of anti-virus technology,malicious documents have gradually become the main pathway of Advanced Persistent Threat(APT)attacks,therefore,the development of effective malicious document classifiers has become particularly urgent.Currently,detection methods based on document structure and behavioral features encounter challenges in feature engineering,these methods not only have limited accuracy,but also consume large resources,and usually can only detect documents in specific formats,which lacks versatility and adaptability.To address such problems,this paper proposes a novel malicious document detection method-visualizing documents as GGE images(Grayscale,Grayscale matrix,Entropy).The GGE method visualizes the original byte sequence of the malicious document as a grayscale image,the information entropy sequence of the document as an entropy image,and at the same time,the grayscale level co-occurrence matrix and the texture and spatial information stored in it are converted into grayscale matrix image,and fuses the three types of images to get the GGE color image.The Convolutional Block Attention Module-EfficientNet-B0(CBAM-EfficientNet-B0)model is then used for classification,combining transfer learning and applying the pre-trained model on the ImageNet dataset to the feature extraction process of GGE images.As shown in the experimental results,the GGE method has superior performance compared with other methods,which is suitable for detecting malicious documents in different formats,and achieves an accuracy of 99.44%and 97.39%on Portable Document Format(PDF)and office datasets,respectively,and consumes less time during the detection process,which can be effectively applied to the task of detecting malicious documents in real-time.
基金supported by the National Key Research and Development Program of China(No.2022YFB3203600)the National Natural Science Foundation of China(Nos.12202355,12132013,and 12172323)the Zhejiang Provincial Natural Science Foundation of China(No.LZ22A020003)。
文摘Due to scale effects,micromechanical resonators offer an excellent platform for investigating the intrinsic mechanisms of nonlinear dynamical phenomena and their potential applications.This review focuses on mode-coupled micromechanical resonators,highlighting the latest advancements in four key areas:internal resonance,synchronization,frequency combs,and mode localization.The origin,development,and potential applications of each of these dynamic phenomena within mode-coupled micromechanical systems are investigated,with the goal of inspiring new ideas and directions for researchers in this field.
基金supported by National Natural Science Foundation of China(62104082)Guangdong Basic and Applied Basic Research Foundation(2022A1515010746,2022A1515011228,and 2022B1515120006)the Science and Technology Program of Guangzhou(202201010458).
文摘Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating method.In this work,we found these two pre-crystallization processes lead to different order of crystallization dynamics within the perovskite thin film,resulting in the differences of additive distribution.We then tailor-designed an additive molecule named 1,3-bis(4-methoxyphenyl)thiourea to obtain films with fewer defects and holes at the buried interface,and prepared perovskite solar cells with a certified efficiency of 23.75%.Furthermore,this work also demonstrates an efficiency of 20.18%for the large-area perovskite solar module(PSM)with an aperture area of 60.84 cm^(2).The PSM possesses remarkable continuous operation stability for maximum power point tracking of T_(90)>1000 h in ambient air.
基金Supported by the National Natural Science Foundation of China,No.82105018 and No.81903950.
文摘BACKGROUND Epidemiological surveys indicate an increasing incidence of type 2 diabetes mellitus(T2DM)among children and adolescents worldwide.Due to rapid disease progression,severe long-term cardiorenal complications,a lack of effective treatment strategies,and substantial socioeconomic burdens,it has become an urgent public health issue that requires management and resolution.Adolescent T2DM differs from adult T2DM.Despite a significant increase in our understanding of youth-onset T2DM over the past two decades,the related review and evidence-based content remain limited.AIM To visualize the hotspots and trends in pediatric and adolescent T2DM research and to forecast their future research themes.METHODS This study utilized the terms“children”,“adolescents”,and“type 2 diabetes”,retrieving relevant articles published between 1983 and 2023 from three citation databases within the Web of Science Core Collection(SCI,SSCI,ESCI).Utilizing CiteSpace and VoSviewer software,we analyze and visually represent the annual output of literature,countries involved,and participating institutions.This allows us to predict trends in this research field.Our analysis encompasses co-cited authors,journal overlays,citation overlays,time-zone views,keyword analysis,and reference analysis,etc.RESULTS A total of 9210 articles were included,and the annual publication volume in this field showed a steady growth trend.The United States had the highest number of publications and the highest H-index.The United States also had the most research institutions and the strongest research capacity.The global hot journals were primarily diabetes professional journals but also included journals related to nutrition,endocrinology,and metabolism.Keyword analysis showed that research related to endothelial dysfunction,exposure risk,cardiac metabolic risk,changes in gut microbiota,the impact on comorbidities and outcomes,etc.,were emerging keywords.They have maintained their popularity in this field,suggesting that these areas have garnered significant research interest in recent years.CONCLUSION Pediatric and adolescent T2DM is increasingly drawing global attention,with genes,behaviors,environmental factors,and multisystemic interventions potentially emerging as future research hot spots.
基金supported by the National Natural Science Foundation of China(52304021,52104022,52204031)the Natural Science Foundation of Sichuan Province(2022NSFSC0205,2024NSFSC0201,2023NSFSC0947)the National Science and Technology Major Projects of China(2017ZX05049006-010).
文摘The global energy demand is increasing rapidly,and it is imperative to develop shale hydrocarbon re-sources vigorously.The prerequisite for enhancing the exploitation efficiency of shale reservoirs is the systematic elucidation of the occurrence characteristics,flow behavior,and enhanced oil recovery(EOR)mechanisms of shale oil within commonly developed nanopores.Molecular dynamics(MD)technique can simulate the occurrence,flow,and extraction processes of shale oil at the nanoscale,and then quantitatively characterize various fluid properties,flow characteristics,and action mechanisms under different reservoir conditions by calculating and analyzing a series of MD parameters.However,the existing review on the application of MD simulation in shale oil reservoirs is not systematic enough and lacks a summary of technical challenges and solutions.Therefore,recent MD studies on shale oil res-ervoirs were summarized and analyzed.Firstly,the applicability of force fields and ensembles of MD in shale reservoirs with different reservoir conditions and fluid properties was discussed.Subsequently,the calculation methods and application examples of MD parameters characterizing various properties of fluids at the microscale were summarized.Then,the application of MD simulation in the study of shale oil occurrence characteristics,flow behavior,and EOR mechanisms was reviewed,along with the elucidation of corresponding micro-mechanisms.Moreover,influencing factors of pore structure,wall properties,reservoir conditions,fluid components,injection/production parameters,formation water,and inorganic salt ions were analyzed,and some new conclusions were obtained.Finally,the main challenges associated with the application of MD simulations to shale oil reservoirs were discussed,and reasonable prospects for future MD research directions were proposed.The purpose of this review is to provide theoretical basis and methodological support for applying MD simulation to study shale oil reservoirs.
