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Structure exploration of gallium based on machine-learning potential
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作者 Yaochen Yu Jiahui Fan +1 位作者 Yuefeng Lei Haiyang Niu 《Journal of Materials Science & Technology》 2025年第29期239-245,共7页
Gallium,an elemental metal known for its distinctive thermal and electronic characteristics,holds signif-icant importance across various industrial fields including semiconductors,biomedicine,and aerospace.When subjec... Gallium,an elemental metal known for its distinctive thermal and electronic characteristics,holds signif-icant importance across various industrial fields including semiconductors,biomedicine,and aerospace.When subjected to supercooling,gallium exhibits the ability to crystallize into multiple structures that are notably more intricate compared to those found in other metallic elements,emphasizing the complex nature of its configuration space.Despite ongoing research efforts,our comprehensive understanding of the configuration space of gallium remains incomplete.In this study,we utilize an active learning strat-egy to develop an accurate deep neural network(DNN)model with strong descriptive capabilities for gallium’s entire configuration space.By integrating this DNN model with the evolutionary crystal struc-ture prediction algorithm USPEX,we conduct an extensive exploration of gallium configurations within simulation cells containing up to 120 atoms.Through this approach,we successfully identify the experi-mentally observed phases ofα-Ga,β-Ga,γ-Ga,δ-Ga,Ga-II and Ga-III.Additionally,we predict eight ther-modynamically metastable structures,labeled as mC 20,oC 8(no.63),mC 4,oP 12,tR 18,tI 20,oC 8(no.64),and mC 12,with high potential of experimental verification.Of particular interest,we identify the true struc-ture ofβ-Ga as having orthorhombic symmetry,in contrast to the widely accepted monoclini c structure.These findings offer new insights into gallium’s configuration space,demonstrating the effectiveness of the crystal structure prediction method combined with DNN model in guiding the exploration of complex systems. 展开更多
关键词 GALLIUM Crystal structure prediction Neural network potential Machine learning
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Geometries and electronic structures of Zr_(n)Cu(n=2–12) clusters: A joint machine-learning potential density functional theory investigation
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作者 王一志 崔秀花 +3 位作者 刘静 井群 段海明 曹海宾 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期595-602,共8页
Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedra... Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedral local structures.To determine the microstructures of Zr–Cu clusters, the stable and metastable geometry of Zr_(n)Cu(n=2–12) clusters are screened out via the CALYPSO method using machine-learning potentials, and then the electronic structures are investigated using density functional theory. The results show that the Zr_(n)Cu(n ≥ 3) clusters possess three-dimensional geometries, Zr_(n)Cu(n≥9) possess cage-like geometries, and the Zr_(12)Cu cluster has icosahedral geometry. The binding energy per atom gradually gets enlarged with the increase in the size of the clusters, and Zr_(n)Cu(n=5,7,9,12) have relatively better stability than their neighbors. The magnetic moment of most Zr_(n)Cu clusters is just 1μB, and the main components of the highest occupied molecular orbitals(HOMOs) in the Zr_(12)Cu cluster come from the Zr-d state. There are hardly any localized two-center bonds, and there are about 20 σ-type delocalized three-center bonds. 展开更多
关键词 geometries and electronic structures magnetic and chemical bonds machine learning potentials Zr–Cu clusters
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Sequential phase transformations in Ta_(0.4)Ti_(2)Zr alloy via tensile molecular dynamics simulations with deep potential
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作者 Hongyang Liu Rong Chen +3 位作者 Bo Chen Jingzhi He Dongdong Kang Jiayu Dai 《Chinese Physics B》 2026年第1期46-55,共10页
Understanding the complex deformation mechanisms of non-equimolar multi-principal element alloys(MPEAs)requires high-fidelity atomic-scale simulations.This study develops a deep potential(DP)model to enable molecular ... Understanding the complex deformation mechanisms of non-equimolar multi-principal element alloys(MPEAs)requires high-fidelity atomic-scale simulations.This study develops a deep potential(DP)model to enable molecular dynamics simulations of the Ta_(0.4)Ti_(2)Zr(Ta_(0.4))alloy.Monte Carlo simulations using this potential reveal Ta atom precipitation in the Ta_(0.4)alloy.Under uniaxial tensile loading along the[100]direction in the NPT ensemble,the alloy undergoes a remarkable sequence of phase transformations:an initial body-centered cubic(BCC_(1))to face-centered cubic(FCC)transformation,followed by a reverse transformation from FCC to a distinct BCC phase(BCC_(2)),and finally a BCC_(2) to hexagonal close-packed(HCP)transformation.Critically,the reverse FCC to BCC_(2) transformation induces significant volume contraction.We demonstrate that the inversely transformed BCC_(2) phase primarily accommodates compressive stress.Concurrently,the reorientation of BCC_(2) crystals contributes substantially to the observed high strain hardening.These simulations provide atomic-scale insights into the dynamic structural evolution,sequential phase transformations,and stress partitioning during deformation of the Ta_(0.4)alloy.The developed DP model and the revealed mechanisms offer fundamental theoretical guidance for accelerating the design of high-performance MPEAs. 展开更多
关键词 multi-principal element alloys machine-learning potential phase transformation stress partitioning
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Generalized modeling of carbon film deposition growth via hybrid MD/MC simulations with machine-learning potentials
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作者 Yutao Liu Tinghong Gao +4 位作者 Qingquan Xiao Yunjun Ruan Qian Chen Bei Wang Jin Huang 《npj Computational Materials》 2025年第1期3102-3114,共13页
Theoretical investigations into the controlled growth of carbon films are essential for guiding the experimental fabrication of carbon-based devices.However,accurately simulating the deposition process remains a signi... Theoretical investigations into the controlled growth of carbon films are essential for guiding the experimental fabrication of carbon-based devices.However,accurately simulating the deposition process remains a significant challenge.In this work,we developed an active learning workflow to construct a machine learning-based neuroevolution potential(NEP)for investigating carbon atoms deposition growth on various substrates.By integrating molecular dynamics and time-stamped forcebiased Monte Carlo simulations,we studied the growth of amorphous carbon films on Si(111)and found that deposition energy strongly influenced bonding topology and film morphology.The NEP reliably captured the surface diffusion of carbon atoms,the formation of carbon chains and rings.We revealed a new growth mechanism of adhesion-driven growth at low energies and peening-induced densification at high energies of carbon atoms on Si(111)substrates.To evaluate the transferability of fitting workflow,we extended the NEP to simulate carbon deposition on Cu(111)and Al_(2)O_(3)(0001)surface.Simulation results demonstrate that the NEP can reproduce the subprocesses of graphene formation during carbon growth on the Cu(111)substrate.In contrast,only disordered carbon chains are observed on the Al_(2)O_(3)(0001)substrate.This work provides atomistic insights into the growth mechanisms of carbon films on representative substrates and establishes a robust computational framework for synthesis of diverse carbon nanostructures. 展开更多
关键词 surface diffusion carbon atoms bonding topology carbon films hybrid MD MC simulations machine learning potentials deposition process carbon film deposition
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Redefining atomistic simulations of all-solid-state batteries through machine learning interatomic potentials
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作者 Qian Chen Siwen Wang Chen Ling 《Journal of Energy Chemistry》 2026年第1期666-687,I0015,共23页
All-solid-state batteries(ASSBs)represent a next-generation energy storage technology,offering enhanced safety,higher energy density,and improved cycling stability compared to conventional liquid-electrolyte-based lit... All-solid-state batteries(ASSBs)represent a next-generation energy storage technology,offering enhanced safety,higher energy density,and improved cycling stability compared to conventional liquid-electrolyte-based lithium-ion batteries.Understanding and optimizing the complex chemistries and interfaces that underpin ASSB performance present significant challenges from both experimental and modeling perspectives.In particular,atomistic simulations face difficulties in capturing the complex structure,disorder,and dynamic evolution of materials and interfaces under practically relevant conditions.While established methods such as density functional theory and classical force fields have provided valuable insights,some questions remain difficult to address,particularly those involving large system sizes or long timescales.Recently,machine learning interatomic potentials(MLIPs)have emerged as a transformative tool,enabling atomistic simulations at length and time scales that were previously challenging to access with conventional approaches.By delivering near first-principles accuracy with much greater efficiency,MLIPs open new avenues for large-scale,long-timescale,and high-throughput simulations of solid-state battery materials.In this review,we present a comparative overview of density functional theory,classical force fields,and MLIPs,highlighting their respective strengths and limitations in ASSB research.We then discuss how MLIPs enable simulations that reach longer timescales,larger system sizes,and support high-throughput calculations,providing unique insights into ion transport and interfacial evolution in ASSBs.Finally,we conclude with a summary and outlook on current challenges and future opportunities for expanding MLIP capabilities and accelerating their impact in solid-state battery research. 展开更多
关键词 All-solid-state batteries Solid-state electrolytes machine-learning interatomic potential Atomistic modeling lon transport INTERFACES
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Analysis of an enhanced mountain-to-plain convective storm based on potential divergence and the advection of potential instability
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作者 Wenjing Cheng Daoyong Yang +2 位作者 Lingkun Ran Kuo Zhou Yanli Chu 《Atmospheric and Oceanic Science Letters》 2026年第2期20-27,共8页
The enhanced mountain-to-plain convective storms in Beijing on 22 May 2021 were simulated using the highresolution Weather Research and Forecasting model,enabling detailed analyses of convective instability characteri... The enhanced mountain-to-plain convective storms in Beijing on 22 May 2021 were simulated using the highresolution Weather Research and Forecasting model,enabling detailed analyses of convective instability characteristics and underlying causes of stability variations.Generalized potential temperature outperformed traditional potential temperature and equivalent potential temperature in capturing instability variations associated with mid-level latent heating and near-surface evaporative cooling.Local instability variance was primarily governed by potential divergence and the advection of potential instability,with these factors exhibiting out-of-phase distributions.Prior to the onset of heavy precipitation,intense downdrafts transported unstable air from higher levels into more stable regions at lower levels,increasing local near-surface instability,which contributed to the formation of heavy precipitation.During the heavy precipitation stage,vertical divergence between slantwise updrafts and downdrafts in the lowmiddle stable layers led to destabilization,supporting sustained convective development within the precipitation area.At the leading edge of the heavy precipitation,instability enhancement was primarily driven by vertical advection,and less stable air in the lower levels was transported upward,enhancing instability at higher levels. 展开更多
关键词 Mountain-to-plain convective storms Generalized potential temperature potential divergence Tendency equation of potential stability Precipitation
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Characteristics and Simulation Analysis of Ground Potential Waveform under Artificially Triggered Lightning
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作者 GUO Zai-hua CHEN Shao-dong +2 位作者 WU Xiang-hui YAN Xu LYU Wei-tao 《Journal of Tropical Meteorology》 2026年第1期96-106,共11页
In this study, the ground potential rise(GPR) phenomenon caused by a lightning current injected into a field-shaped artificial grounding grid, as well as the potential difference between two different nodes at the edg... In this study, the ground potential rise(GPR) phenomenon caused by a lightning current injected into a field-shaped artificial grounding grid, as well as the potential difference between two different nodes at the edge of the grounding grid, was observed and analyzed under artificially triggered lightning conditions. Based on circuit theory and measured current data, a π-equivalent circuit was established to simulate the transient response of the grounding grid.Nineteen return strokes from three artificially triggered lightning events were analyzed. The peak currents of the 19 return strokes range from -6.7 to -25.1 kA, and the mean value was -14.3 kA. The GPR decreased rapidly and formed a subpeak after reaching the initial peak, with the mean value of the initial peak being -148.65 kV and the mean value of the subpeak being -92.87 kV. The GPR induced by the triggered lightning currents exhibited a subpeak phenomenon. Simulation results indicate that the subpeak phenomenon is related to localized corrosion of the vertical grounding electrode. The potential difference at the grounding grid edge exhibited a multi-pulse waveform with alternating polarity, dominated by positive pulses. The peak values of both the positive and negative polarity pulses gradually decreased, with the first positive pulse displaying a significantly higher intensity than that of subsequent pulses. 展开更多
关键词 artificially triggered lightning grounding grid return stroke ground potential rise potential difference
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Evaluating the Shanghai Typhoon Model against State-of-the-Art Machine-Learning Weather Prediction Models:A Case Study for Typhoon Danas(2025)
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作者 Zeyi NIU Wei HUANG +5 位作者 Yuhua YANG Mengqi YANG Lin DENG Haibo WANG Hong LI Xu ZHANG 《Advances in Atmospheric Sciences》 2026年第4期744-750,共7页
This study traces the development of the Shanghai Typhoon Model(SHTM)from a traditional physics-based regional model toward a data-driven,machine-learning typhoon forecasting system.After upgrading its initial and bou... This study traces the development of the Shanghai Typhoon Model(SHTM)from a traditional physics-based regional model toward a data-driven,machine-learning typhoon forecasting system.After upgrading its initial and boundary conditions,SHTM now leverages large-scale constraints from machine-learning weather prediction(MLWP)models,resulting in an ML–physics hybrid framework.During Typhoon Danas(2025),the hybrid SHTM achieves substantially lower track errors than both the advanced ECMWF Integrated Forecasting System(IFS)and leading MLWP models such as PanGu and FuXi.Furthermore,the hybrid SHTM consistently maintains mean track errors below 200 km up to a forecast lead time of 108 hours,representing a significant advancement in forecast accuracy.In addition,this study highlights the technical roadmap for transitioning from a physics-based typhoon model to a fully data-driven ML typhoon forecast system.It also emphasizes that advances in the physical modeling framework provide a critical foundation for further improving the performance of future data-driven ML typhoon models. 展开更多
关键词 Shanghai Typhoon Model(SHTM) machine-learning weather prediction machine learning-physics hybrid model
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Diagnostic value of mismatch-negativity and P3a event-related potentials for sepsis-associated encephalopathy in non-sedated patients:a pilot study
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作者 Zengzheng Ge Xin Lu +7 位作者 Shiyuan Yu Mubing Qin Chao Gong Qun Xu Yanxia Gao Joseph Harold Walline Huadong Zhu Yi Li 《World Journal of Emergency Medicine》 2026年第2期172-178,共7页
BACKGROUND:Although the Confusion Assessment Methods for the Intensive Care Unit(CAMICU) is a recommended tool for diagnosing sepsis-associated encephalopathy(SAE),it has several limitations.Mismatch-negativity(MMN) a... BACKGROUND:Although the Confusion Assessment Methods for the Intensive Care Unit(CAMICU) is a recommended tool for diagnosing sepsis-associated encephalopathy(SAE),it has several limitations.Mismatch-negativity(MMN) and P3a are components of event-related potentials(ERPs) used with electroencephalography(EEG) and are associated with cerebral function changes in critically ill patients.This study aimed to provide a quantitative,non-invasive method to guide SAE diagnosis in nonsedated patients.METHODS:From January 2022 to March 2023,sepsis patients without sedation were enrolled and assessed via the CAM-ICU,Glasgow Coma Scale(GCS),and ERP under standard procedures.Both MMN and P3a data were collected.The diagnostic value of MMN and P3a was assessed with processed ERP data.RESULTS:Thirty-six patients were included in this study,comprising 19 patients with SAE and 17 patients without SAE(NSAE).MMN and P3a amplitudes decreased,and only FzMMN amplitude significantly decreased in SAE patients(2.03 [1.08,2.93] mV vs.3.21 [1.92,4.34] mV,P=0.040).After median dichotomization,low F3P3a and FzP3a amplitudes were associated with higher CAM-ICU positivity rates and APACHE II scores.Both amplitude in F3P3a(AUC=0.710,95%CI:0.527–0.893,P=0.034) and FzP3a(AUC=0.700,95%CI:0.519–0.881,P=0.041) exhibited moderate diagnostic efficacy for SAE,while FzMMN amplitude lacks effective diagnostic value.CONCLUSION:In this pilot study,ERP components F3P3a and FzP3a amplitudes demonstrated moderate diagnostic value for SAE.These exploratory findings require confirmation in larger and powered cohorts. 展开更多
关键词 Sepsis-associated encephalopathy Event-related potentials Mismatch-negativity Electroencephalography Diagnostic value
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Revealing the dynamic responses of Pb under shock loading based on DFT-accuracy machine learning potential
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作者 Enze Hou Xiaoyang Wang Han Wang 《Chinese Physics B》 2026年第1期57-64,共8页
Lead(Pb)is a typical low-melting-point ductile metal and serves as an important model material in the study of dynamic responses.Under shock-wave loading,its dynamic mechanical behavior comprises two key phenomena:pla... Lead(Pb)is a typical low-melting-point ductile metal and serves as an important model material in the study of dynamic responses.Under shock-wave loading,its dynamic mechanical behavior comprises two key phenomena:plastic deformation and shock-induced phase transitions.The underlying mechanisms of these processes are still poorly understood.Revealing these mechanisms remains challenging for experimental approaches.Non-equilibrium molecular dynamics(NEMD)simulations are an alternative theoretical tool for studying dynamic responses,as they capture atomic-scale mechanisms such as defect evolution and deformation pathways.However,due to the limited accuracy of empirical interatomic potentials,the reliability of previous NEMD studies has been questioned.Using our newly developed machine learning potential for Pb-Sn alloys,we revisited the microstructural evolution in response to shock loading under various shock orientations.The results reveal that shock loading along the[001]orientation of Pb exhibits a fast,reversible,and massive phase transition and stacking-fault evolution.The behavior of Pb differs from previous studies by the absence of twinning during plastic deformation.Loading along the[011]orientation leads to slow,irreversible plastic deformation,and a localized FCC-BCC phase transition in the Pitsch orientation relationship.This study provides crucial theoretical insights into the dynamic mechanical response of Pb,offering a theoretical input for understanding the microstructure-performance relationship under extreme conditions. 展开更多
关键词 interatomic potentials molecular dynamics shock impacts machine learning
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Novel advancements in synthesis,modulation,and potential applications of conjugated microporous polymer-based materials
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作者 Hamid Ali Obaid Iqbal +9 位作者 Muhammad Sadiq Yumeng Cheng Xiao Yan Basem Al Alwan Atef El Jery Hameed ur Rahman Yongteng Qian Asif Hayat Dewu Yue Zeeshan Ajmal 《Nano Materials Science》 2026年第1期117-174,共58页
Conjugated microporous polymers(CMPs)are a unique class of organic porous materials characterized byπ-conjugated structures and permanent micropores,distinguishing them from non-porous polymers and conventionalπ-con... Conjugated microporous polymers(CMPs)are a unique class of organic porous materials characterized byπ-conjugated structures and permanent micropores,distinguishing them from non-porous polymers and conventionalπ-conjugated polymers.CMPs offer extensive versatility in synthetic approaches,enabling the synthesis of cross-linked and mesoporous structures.Advances in chemical processes,structural design,and synthesis methodologies have been developed,resulting in a diverse range of CMPs with unique configurations and properties,contributing to the fast expansion of the field.CMPs are particularly notable for their ability to enable the competitive utilization ofπ-conjugated structures within mesoporous configurations,making them valuable for investigations across various domains.They have shown considerable promise in addressing fuel and environmental challenges,demonstrated by their exceptional performance in applications such as vapor adsorption,heterogeneous catalysis,light emission,light harvesting,and energy generation.This review examines the chemical engineering principles underlying CMPs,including synthesis approaches,systemic research advancements,multifunctional investigations boundaries,potential applications,and progress in synthesis,dimensionality,and morphology studies.Specifically,it offers a comparative analysis of CMPs and linear polymeric materials,aiding in the development of functional polymers.Furthermore,this review explores the primary fundamental limitations of CMPs in fuel-related domains and discusses alternative strategies,including novel synthesis methods incorporating interactions and morphologies,to address these challenges.Ultimately,this assessment aims to provide a valuable and inspiring resource for professionals in the field of fuel management,guiding future research and development efforts. 展开更多
关键词 Conjugated microporous polymers Synthesis reactions FUNCTIONALIZATION MORPHOLOGIES potential applications CATALYTIC
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Potential Vorticity Perspective of Two Explosive Cyclones over the Northwestern Pacific Ocean
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作者 PENG Yongmao LI Pengyuan +1 位作者 NI Jing FU Gang 《Journal of Ocean University of China》 2026年第1期27-37,共11页
Explosive cyclones(ECs) are rapidly intensifying subtropical cyclones that can develop within a short time and pose considerable threats to coastal areas in middle and high latitudes.Gaining a comprehensive understand... Explosive cyclones(ECs) are rapidly intensifying subtropical cyclones that can develop within a short time and pose considerable threats to coastal areas in middle and high latitudes.Gaining a comprehensive understanding of their formation,evolution,and mechanisms of explosive development is essential for improving forecasts of extreme weather events and mitigating associated impacts.Potential vorticity(PV),which is closely related to cyclone dynamics,serves as a valuable diagnostic tool in the study of ECs.In this study,two wintertime ECs of differing intensity over the Northwestern Pacific Ocean are analyzed to examine how different atmospheric processes influence PV generation and the rapid development of ECs.The maximum deepening rates of the two ECs are 2.81 Bergeron(called EC1) and 1.52 Bergeron(referred to as EC2).Results indicate that different stages of EC evolution are closely associated with PV tendency changes at different atmospheric levels.Using the PV tendency equation,during the explosive development of EC1,latent heat release may trigger the downward propagation of upper-level PV.For EC2,latent heat release notably enhances low-level PV,directly contributing to its rapid intensification.To validate these findings,sensitivity tests are conducted using the Weather Research and Forecasting model,with latent heat release turned off in the microphysical scheme for both cases.The results confirm the crucial role of latent heat release in generating low-level PV,further revealing that latent heat release contributes more to the explosive development of EC2 than that of EC1. 展开更多
关键词 explosive cyclones potential vorticity latent heat release PV tendency equation
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Multi-physical modeling of climate-driven elasto-plastic deformation,stress redistribution,and water potential in desiccation-cracked soils of arid regions
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作者 Milad Jabbarzadeh Hamed Sadeghi 《Journal of Rock Mechanics and Geotechnical Engineering》 2026年第1期772-791,共20页
This study presents a multi-physical modeling approach to analyze the dynamics of moisture potential and stress-deformation features near deep desiccation cracks in clayey soils under three consecutive years’climate ... This study presents a multi-physical modeling approach to analyze the dynamics of moisture potential and stress-deformation features near deep desiccation cracks in clayey soils under three consecutive years’climate variability in an arid region.A triple research approach of statistical analysis,analytical framework,and numerical modeling was used to investigate the complex thermo-hydro-mechanical behavior of desiccation-cracked soil,incorporating realistic climatic data of Qom,Iran.The results revealed the interplay between stress,strain,and pore water pressure over time,demonstrating that soil experiences significant swelling and shrinkage due to cyclic wetting and drying.The horizontal stress distribution shows compressive stress concentration at crack tips during wetting,transitioning to tensile stresses uniformly across the soil surface during drying paths.Similarly,vertical stress distributions exhibit localized compressive stresses along crack boundaries during wetting and tensile stresses during drying,highlighting the critical stress conditions at crack tips.The model differentiates between microstructural and macrostructural changes in porosity.Annual trends in micro-porosity revealed cyclic-dependent behavior,with significant volumetric changes occurring in the first year,stabilizing with successive cycles.The results also indicated that part of the volumetric changes are irreversible,with volumetric plastic strain increasing exponentially but at a decreasing rate over three years.Principal stress analysis indicates a shift from compressive to tensile stress states around cracks,driven by climate-induced wetting and drying cycles.These findings underscore the critical role of climate variability in shaping cracked soil behavior in arid regions,providing insights into the heterogeneous behavior of cracked soil surfFicial layers. 展开更多
关键词 Soil-atmosphere interaction Moisture potential dynamics Stress-deformation characteristics Desiccation cracks Arid climate
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Structures and dynamics of helium in liquid lithium:A study by deep potential molecular dynamics
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作者 Xinyu Zhu Jianchuan Liu +5 位作者 Tao Chen Xinyue Xie Jin Wang Yi Xie Chenxu Wang Mohan Chen 《Chinese Physics B》 2026年第1期25-33,共9页
Current experimental techniques still face challenges in clarifying the structural and dynamic properties of helium(He)in liquid lithium(Li).A critical example of this technical hurdle is the formation of He bubbles,w... Current experimental techniques still face challenges in clarifying the structural and dynamic properties of helium(He)in liquid lithium(Li).A critical example of this technical hurdle is the formation of He bubbles,which significantly affects the transport of He within liquid Li—a vital aspect when considering liquid Li as a plasma-facing material in nuclear fusion reactors.We develop a machine-learning-based deep potential(DP)with ab initio accuracy for the Li-He system and perform molecular dynamics simulations at temperatures ranging from 470 K to 1270 K with a wide range of He concentrations.We observe that He atoms exhibit a tendency to aggregate and form clusters and bubbles in liquid Li.Notably,He clusters exhibit a significant increase in size at elevated temperatures and high concentrations of He,accompanied by the phase separation of Li and He atoms.We also observe an anomalous non-linear relationship between the diffusion coefficient of He and temperature,which is attributed to the larger cluster size at higher temperatures.Our study provides a deeper understanding of the behavior of He in liquid Li and further supports the potential application of liquid Li under extreme conditions. 展开更多
关键词 MD simulation machine-learning-based deep potential plasma-facing material He in liquid Li
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Predicting potential suitable areas of Orchidaceae plants with national key reserve from Heilongjiang province in MaxEnt models
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作者 Weixue Zhong Xiaoxue Wei +6 位作者 Yujia Yu Xiaoqing Tang Ye Zhang Xinyu Huang Xiaohui Li Ying Liu Dewen Li 《Ecological Frontiers》 2026年第1期18-28,共11页
The study aimed at predicting potential suitable areas with national key reserve Orchidaceae plants in Heilongjiang province and conducive to plant protection.The distribution point data of six Orchidaceae plants and ... The study aimed at predicting potential suitable areas with national key reserve Orchidaceae plants in Heilongjiang province and conducive to plant protection.The distribution point data of six Orchidaceae plants and 19 bioclimatic variables were selected,and the environmental factors required for modeling were screened out by pearson correlation analysis and variance inflation factor(VIF)analysis.The potential suitable areas of Orchidaceae plants were predictat present and under different climate scenarios in 2090s by using geographic information system(GIS)and Maximum Entropy Model(MaxEnt).And then evaluated the prediction accuracy of the MaxEnt model using the AUC value,the TSS value and the Kappa value.The results showed that:1)The area under curve(AUC)values,true skill statistics(TSS)values and KAPPA values predicted by MaxEnt model were separately above 0.9,0.85 and 0.75.2)Under the climate scenario at present,the total suitable area of Orchidaceae plants was about 9.61×10^(6)km^(2),which was mainly distributed in Heilongjiang province.Among them,the high-suitable area of Cypripedium shanxiense S.C.Chen was the largest,the non-suitable area of Cypripedium guttatum Sw was the largest.3)Under different climate scenarios in 2090s,the total suitable area was slightly increasing(9.62×10^(6)km^(2)).Among them,Cypripedium shanxiense S.C.Chen and Gastrodiae Rhizoma both showed the trend of expansion to the southwest,China,and the suitable areas expanded significantly.Comprehensive factor analysis showed that temperature and precipitation were the main bioclimatic variables of suitable areas distribution,and the low emission scenario(SSP 2-4.5)will be more conducive to the survival of Orchidaceae plants. 展开更多
关键词 Orchidaceae plants potential suitable areas Bioclimatic variables MaxEnt models National key reserve
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Global Well-Posedness for the Inhomogeneous Fourth-Order Schr¨odinger Equation with Potential
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作者 XIA Su-xia LI Shuo 《Chinese Quarterly Journal of Mathematics》 2026年第1期82-91,共10页
The paper considers the initial value problem of inhomogeneous fourth-order Schr¨odinger equation with potential in energy space H^(2)(R^(d)).The global well-posedness is obtained in dimensions d≥5 resorting to ... The paper considers the initial value problem of inhomogeneous fourth-order Schr¨odinger equation with potential in energy space H^(2)(R^(d)).The global well-posedness is obtained in dimensions d≥5 resorting to contractive mapping principle,Strichartz estimates,Caffarelli-Kohn-Nirenberg-type inequality and the continuity method. 展开更多
关键词 WELL-POSEDNESS Inhomogeneous fourth-order Schr¨odinger equation potential Strichartz estimates Continuity method
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Oxidative potential of PM_(2.5) in Guangzhou,Southern China:Source apportionment and association with airborne bacteria
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作者 Yuxin Huang Senchao Lai +7 位作者 Baoling Liang Jinpu Zhang Chenglei Pei Dachi Hong Xiaoluan Lin Zhaokang Ruan Leitao Sun Yingyi Zhang 《Journal of Environmental Sciences》 2026年第1期64-72,共9页
Oxidative potential(OP)can be used as an indicator of the health risks of particulate matter in the air.To study the variation and sources of OP,we conducted an observation of PM_(2.5) in a megacity in southern China ... Oxidative potential(OP)can be used as an indicator of the health risks of particulate matter in the air.To study the variation and sources of OP,we conducted an observation of PM_(2.5) in a megacity in southern China in winter and spring of 2021.The results show that the average concentration of PM_(2.5) decreased by 47%from winter to spring,while volume-normalized and mass-normalized OP(i.e.,OP_(v) and OP_(m))increased by 6%and 69%,respectively.It suggests that the decline of PM_(2.5) may not necessarily decrease the health risks and the intrinsic toxicity of PM_(2.5).Variations of OP_(v) and OP_(m) among different periods were related to the different source contributions and environmental conditions.The positive matrix factorization model was used to identify the major sources of OP_(v).OP_(v) was mainly contributed by biomass burning/industrial emissions(29%),soil/road dust(20%),secondary sulfate(14%),and coal combustion(13%)in winter.Different major sources were resolved to be secondary sulfate(36%),biological sources(21%),and marine vessels(20%)in spring,presenting the substantial contribution of biological sources.The analysis shows strong associations between OP_(v) and both live and dead bacteria,further confirming the important contribution of bioaerosols to the enhancement of OP.This study highlights the importance of understanding OP in ambient PM_(2.5) in terms of public health impact and provides a new insight into the biological contribution to OP. 展开更多
关键词 Oxidative potential PM_(2.5) Source apportionment Positive matrix factorization Airborne bacteria
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Photobiomodulation and Addiction:Exploring Mechanisms,Therapeutic Potential,and Future Directions in Substance Use Disorders
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作者 Xiujiao Qin Hongyuan Li +1 位作者 Huiying Zhao Xiaohui Wang 《Neuroscience Bulletin》 2026年第2期471-475,共5页
Addiction,a complex and chronic neurobiological disorder,is characterized by compulsive substance use despite harmful consequences,leading to persistent alterations in brain function,particularly within the reward,mot... Addiction,a complex and chronic neurobiological disorder,is characterized by compulsive substance use despite harmful consequences,leading to persistent alterations in brain function,particularly within the reward,motivation,and decision-making systems.Despite the availability of a range of treatment options,including pharmacotherapy and behavioral therapies,relapse remains a major challenge,with many individuals struggling to maintain long-term recovery.Current treatments often show limited efficacy,underscoring the need for novel therapeutic strategies that can address the underlying neurobiological disruptions in addiction. 展开更多
关键词 PHOTOBIOMODULATION MOTIVATION behavioral therapiesrelapse therapeutic potential substance use disorders neurobiological disorder MECHANISMS ADDICTION
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Global coal-rock gas resource potential and distribution
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作者 LI Guoxin CHEN Ruiyin +7 位作者 WEN Zhixin ZHANG Junfeng HE Zhengjun FENG Jiarui KANG Hailiang MENG Qingyang MA Chao SU Ling 《Petroleum Exploration and Development》 2026年第1期16-30,共15页
Based on the data of regional geology,seismic,drilling,logging and production performance obtained from 94 major petroliferous basins worldwide,the global coal resources were screened and statistically analyzed.Then,u... Based on the data of regional geology,seismic,drilling,logging and production performance obtained from 94 major petroliferous basins worldwide,the global coal resources were screened and statistically analyzed.Then,using established definition methods and evaluation criteria for coal-rock gas in China,and by analogy with the tectono-sedimentary and burial-thermal evolution conditions of coal rocks in sedimentary basins within China,the geological resource potential of global coal-rock gas was estimated mainly by the volume method,partly by the volumetric method in selected regions.According to the evaluation indicator system comprising 14 parameters under 5 categories and the associated scoring criteria,the target basins were ranked,and the future research targets for these basins were proposed.The results reveal that,globally,coal rocks are primarily formed in four types of swamp environments within four categories of prototype basins,and distributed across five major coal-forming periods and eight coal-accumulation belts.The total geological coal resources are estimated at approximately 42×10^(12)t,including 22×10^(12)t in the strata deeper than 1500 m.The global geological coal-rock gas resources in deep strata are roughly 232×10^(12)m^(3),of which over 90%are endowed in Russia,Canada,the United States,China and Australia,with China contributing 24%.The top 10 basins by coal-rock gas resource endowment,i.e.Alberta,Kuznetsk,Ordos,East Siberian,Bowen,West Siberian,Sichuan,South Turgay,Lena-Vilyuy and Tarim,collectively hold 75%of the global total.The Permian,Cretaceous,Carboniferous,Jurassic,and Paleogene-Neogene account for 32%,30%,18%,10%,and 7%of total coal-rock gas resources,respectively.The 10 most practical basins for future coal-rock gas exploration and development are identified as Alberta,Ordos,Kuznetsk,San Juan,Sichuan,East Siberian,Rocky Mountain,Bowen,Junggar and Qinshui.Propelled by successful development practices in China,coal-rock gas is now entering a phase of theoretical breakthrough,technological innovation,and rapid production growth,positioning it to spearhead the next wave of the global unconventional oil and gas revolution. 展开更多
关键词 COAL coal-rock gas geological resources resource potential basin type resource distribution gas content
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Probing high-order deformation effects in neutron-deficient nuclei^(246,248)No with improved potential-energy-surface calculations
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作者 Jin-Liang Guo Hua-Lei Wang +2 位作者 Kui Xiao Zhen-Zhen Zhang Min-Liang Liu 《Nuclear Science and Techniques》 2026年第3期143-152,共10页
The high-order deformation effects in even-even^(246,248)No are investigated by means of pairing self-consistent WoodsSaxon-Strutinsky calculations using the potential-energy-surface(PES)approach in an extended deform... The high-order deformation effects in even-even^(246,248)No are investigated by means of pairing self-consistent WoodsSaxon-Strutinsky calculations using the potential-energy-surface(PES)approach in an extended deformation space(β_(2),β_(3),β_(4),β_(5),β_(6),β_(7),β_(8)).Based on the calculated two-dimensional projected energy maps and different potential energy curves,we found that the highly even-order deformations have an important impact on both the fission trajectory and energy minima,while the odd-order deformations,accompanying the even-order ones,primarily affect the fission path beyond the second barrier.Relative to the light actinide nuclei,the nuclear ground state changes to the superdeformed configuration,but the normally deformed minimum,as the low-energy shape isomer,may still be primarily responsible for enhancing nuclear stability and ensuring experimental accessibility in^(246,248)No.Our present investigation indicates the nonnegligible impact of high-order deformation effects along the fission valley and will be helpful for deepening the understanding of different deformation effects and deformation couplings in nuclei,especially in this neutron-deficient heavy-mass region. 展开更多
关键词 High-order deformations Neutron-deficient nuclei potential energy surface Nuclear stability Macroscopic–microscopic model
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