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
Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a ...Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a physically inspired invariant message passing neural network,which was designed for systems with a limited number of elements.It is efficient but hardly transferable to more complex multi-element systems.In this work,we release REANN 2.0 aimed at multi-element systems and universal potentials,which integrates element embedding and equivariant representation.Compared to the first version,REANN 2.0 demonstrates enhanced ele-ment transferability and higher accuracy across various periodic systems with higher efficiency.Built upon this framework,a pre-trained REANN-MPtrj model without fine-tuning accurately predicts the lithium-ion diffusion dynamics in a benchmark solid-state electrolyte Li_(3)YCl_(6).We hope this open-source software package will facilitate the development of computationally efficient universal potentials in the future.展开更多
We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and co...We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and coordinate spaces.Our calculation is based on the four-point Green's function rather than the scattering amplitude.Among the sixteen potential components,eight that vanish in the non-relativistic limit are shown to acquire nonzero relativistic and off-shell corrections.In addition to providing relativistic and off-shell corrections to the operator basis commonly used in the literature,we introduce an alternative operator basis that facilitates the derivation of interaction potentials in the coordinate space.Furthermore,we calculate both the long-range and short-range components of the potentials,which can be useful for future experimental analyses at both macroscopic and atomic scales.展开更多
The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacem...The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacement is to lose body weight,whether patients with obesity,diabetes,fatty liver,infertile or pregnant women can benefit from weight loss.In addition,MRs still exhibit more biomedical potential in preventing and treating diseases,like anti-diabetes,improving fatty liver and kidney disease,preventing cancer,conceiving and reducing pregnancy complications,and improving life quality.Indeed,there are also disadvantages to meal replacement,including causing adverse effects,although most are acceptable and tolerated.To date,various commercially-developed MRs are walking from dining table to sickbed.Therefore,a scientific understanding of the advantages and disadvantages of meal replacements is crucial for their extensive application beyond biomedical potentials.展开更多
Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier...Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier heights were well reproduced with a root-mean-square(RMS)error of 1.53 MeV,and the RMS deviations with respect to 144 time-dependent Hartree-Fock capture barrier heights were only 1.05 MeV.Coupled with the Siwek-Wilczyński formula,wherein three parameters were determined by the proposed effective potentials,the measured capture cross sections at energies around the barriers were reasonably well reproduced for several fusion reactions induced by nearly spherical nuclei as well as by nuclei with large deformations,such as^(154)Sm and^(238)U.The shallow capture pockets and small values of the average barrier radii resulted in the reduction of the capture cross sections for 52,54Cr-and 64 Ni-induced reactions,which were related to the synthesis of new super-heavy nuclei.展开更多
BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influenc...BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influencing attention bias,specifically identifying the aspects of attention processes affected by hypnosis.METHODS In this study,69 SAD participants were divided into three groups based on their Liebowitz Social Anxiety Scale scores:Experimental group,control group,and baseline group.The experimental group(n=23)underwent six weekly hypnosis sessions,while the control(n=23)and baseline groups(n=23)received no treatment.To evaluate alterations in SAD severity and attention bias towards threatening stimuli following hypnotherapy,we employed a combination of self-report questionnaires,an odd-one-out task,and electroencephalography recordings.RESULTS The experimental group showed significant reductions in P1,N170,N2pc,and late positive potential(LPP)brain wave activities during attention sensitivity and disengagement conditions.This indicates that hypnotherapy modulates early-stage face processing and later-stage emotional evaluation of threat-related stimuli in SAD patients.CONCLUSION Our findings highlight P1,N170,N2pc,and LPP as key neural markers in SAD treatment.By identifying these neural markers influenced by hypnotherapy,we offer insight into the mechanisms by which this treatment modality impacts attentional processes,potentially easing SAD symptoms.展开更多
The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realizatio...The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realization of new physical phenomena through the tuning of electron–electron interactions.In this work,the effect of the moiré superlattice formed between the substrate and the bottom quintuple layer(QL)of 3-and 4-QL three-dimensional(3D)topological insulator Sb_(2)Te_(3) thin films on the top surface states is investigated.The scanning tunneling spectra reveal that the bulk-like bands exhibit potential variations consistent with the moirépattern.In contrast,the surface states display only minimal potential variations,resulting in the absence of mini-band formation in the top surface states.These surface states remain nearly unaffected,as confirmed by Landau-level spectroscopy and simulations.The results suggest distinct roles of the bottom-surface moirépotential on the bulk states and the top surface states in the weak coupling regime between the two surfaces.展开更多
This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its i...This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its impact and importance.180 respondents from the Dukagjin region participated in this study,and the quantitative method was used as a methodology.The measurement instrument consisted of 30 closed questions,which aimed to collect detailed information on the potential of natural tourism in this area.The study results showed that mountain,cultural,winter,healing,and rural tourism are especially important for developing the Dukagjin region.Furthermore,the analysis shows that 30%of the tourism potential is explained by rural tourism,underlining its importance in the local economy.Finally,the study’s findings are discussed,emphasizing their practical value for promoting and developing sustainable tourism in the region.展开更多
Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuc...Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuclear potentials in spherical coordinate space.The shooting method was used with a Runge–Kutta 4 integration scheme.The potentials are parameterized in a Woods–Saxon form,which reproduce well the known single-particle states around all doubly magic nuclei and can be applied to study the shell evolution of exotic nuclei.The code can be easily extended to the study of other systems,including atomic,hadron,and molecular physics.展开更多
Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensat...Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensates.In scenarios where the spin-independent parameter c_(0)and the spin-dependent parameter c_(2)vary,we use both analytical and numerical methods to investigate the three-coupled nonlinear Gross-Pitaevskii equations with PT-symmetric generalized Scarf-Ⅱpotentials.We obtain analytical soliton states and find that simply modulating c_(2)may change the analytical soliton states from unstable to stable.Additionally,we obtain numerically stable double-hump soliton states propagating in the form of periodic oscillations,exhibiting distinct behavior in energy exchange.For further investigation,we discuss the interaction of numerical double-hump solitons with Gaussian solitons and observe the transfer of energy among the three components.These findings may contribute to a deeper understanding of solitons in Bose-Einstein condensates with PT-symmetric potentials and may hold significance for both theoretical understanding and experimental design in related physics experiments.展开更多
Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of e...Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of exact solutions to the equations of motion of atoms in a body-centered cubic(bcc)lattice is analyzed.These solutions take the form of delocalized nonlinear vibrational modes(DNVMs)and can serve as an excellent test of the accuracy of the interatomic potentials used in MD modeling for bcc crystals.The accuracy of the potentials can be checked by comparing the frequency response of DNVMs calculated using this or that interatomic potential with that calculated using the more accurate ab initio approach.DNVMs can also be used to train new,more accurate machine learning potentials for bcc metals.To address the above issues,it is important to analyze the properties of DNVMs,which is the main goal of this work.Considering only the point symmetry groups of the bcc lattice,34 DNVMs are found.Since interatomic potentials are not used in finding DNVMs,they are exact solutions for any type of potential.Here,the simplest interatomic potentials with cubic anharmonicity are used to simplify the analysis and to obtain some analytical results.For example,the dispersion relations for small-amplitude phonon modes are derived,taking into account interactions between up to the fourth nearest neighbor.The frequency response of the DNVMs is calculated numerically,and for some DNVMs examples of analytical analysis are given.The energy stored by the interatomic bonds of different lengths is calculated,which is important for testing interatomic potentials.The pros and cons of using DNVMs to test and improve interatomic potentials for metals are discussed.Since DNVMs are the natural vibrational modes of bcc crystals,any reliable interatomic potential must reproduce their properties with reasonable accuracy.展开更多
We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The...We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The free-electron contribution is described by the Maynard–Deutsch–Zimmerman formula,and the bound-electron contribution relies on the Bethe formula with corrections,in particular taking into account density and shell effects.The results of the bound-state computation using three different parametric potentials are investigated within the Garbet formalism for the mean excitation energy.The first parametric potential is due to Green,Sellin,and Zachor,the second one was proposed by Yunta,and the third one was introduced by Klapisch in the framework of atomic-structure computations.The results are compared with those of self-consistent average-atom calculations.This approach correctly bridges the limits of neutral and fully ionized matter.展开更多
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
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
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
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
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
To understand the transmission paths and potential source areas of fine particulate matter(PM_(2.5))and ozone(O_(3))in Urumqi,using the monitoring data from 2020 to 2022,the pollution characteristics and the transmiss...To understand the transmission paths and potential source areas of fine particulate matter(PM_(2.5))and ozone(O_(3))in Urumqi,using the monitoring data from 2020 to 2022,the pollution characteristics and the transmission paths of PM_(2.5) and O_(3) were studied.Based on the MeteoInfo software,the potential source areas and concentration contributions via the weighted potential source contribution function(WPSCF)and the weighted concentration weighted trajectory(WCWT)were analyzed.Besides,trajectory distribution at different starting heights were compared.The results of the backward trajectory(500 m)showed that the PM_(2.5) and O_(3) clustering trajectories were mainly derived from the northwest and passed through Yining/Ili and Tacheng.The air flow proportion of PM_(2.5) pollution was 44.83%in winter.With the highest pollution concentration(119.2μg/m^(3)),the pollution airflow proportion of O_(3) was 30.52%in summer.According to an analysis of the pressure profile,the atmospheric pressure was below 850 hPa in winter,indicating that the near-surface air mass had a substantial impact on PM_(2.5) concentrations,whereas in summer the pressure for O_(3) rose above 750 hP1,leading to higher pollutant concentrations.The WPSCF/WCWT results of PM_(2.5) demonstrated that the largest potential areas were identified in winter and were mainly distributed in Bozhou,Kuitun,and Shihezi(west of Urumqi,cultivated land/grassland),while the largest potential areas of O_(3) were distributed in Changji(east of Urumqi,barren land)and Turpan(southeast of Urumqi,grassland)in summer.The study indicates that the government should implement stricter measures to control regional transmission and air pollution.展开更多
The published article titled“Truncated Bid Overexpression Induced by Recombinant Adenovirus Cre/LoxP System Suppresses the Tumorigenic Potential of CD133+Ovarian Cancer Stem Cells”has been retracted from Oncology Re...The published article titled“Truncated Bid Overexpression Induced by Recombinant Adenovirus Cre/LoxP System Suppresses the Tumorigenic Potential of CD133+Ovarian Cancer Stem Cells”has been retracted from Oncology Research,Vol.25,No.4,2017,pp.595–603.展开更多
The year 2025 marks the 120th anniversary of the birth of Chinese filmmaking.From the first film Dingjun Mountain released in 1905,which captured scenes from Peking opera,to the present day where artificial intelligen...The year 2025 marks the 120th anniversary of the birth of Chinese filmmaking.From the first film Dingjun Mountain released in 1905,which captured scenes from Peking opera,to the present day where artificial intelligence(AI)is utilised in film production,the Chinese film industry has been developing for over a century.Data from the China Film Administration shows that China’s 2025 box o"ce revenue topped 51.8 billion yuan($7.4 billion),realising a year-on-year increase of nearly 22 percent.展开更多
文摘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.
基金the support by the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB0450101)the National Natural Science Foundation of China(Nos.22325304,22221003 and 22033007)。
文摘Recursively embedded atom neural network(REANN)is a general-purpose atomistic machine learning software package for representing potential energy and other physical properties.The original REANN 1.0 architecture is a physically inspired invariant message passing neural network,which was designed for systems with a limited number of elements.It is efficient but hardly transferable to more complex multi-element systems.In this work,we release REANN 2.0 aimed at multi-element systems and universal potentials,which integrates element embedding and equivariant representation.Compared to the first version,REANN 2.0 demonstrates enhanced ele-ment transferability and higher accuracy across various periodic systems with higher efficiency.Built upon this framework,a pre-trained REANN-MPtrj model without fine-tuning accurately predicts the lithium-ion diffusion dynamics in a benchmark solid-state electrolyte Li_(3)YCl_(6).We hope this open-source software package will facilitate the development of computationally efficient universal potentials in the future.
基金funded in part by the National Natural Science Foundations of China under Grants Nos.12150013,12075058 and 11975090the Science Foundation of Hebei Normal University with Grant No.L2023B09。
文摘We present a calculation by including the relativistic and off-shell contributions to the interaction potentials between two spin-1/2 fermions mediated by the exchange of light spin-0 particles,in both momentum and coordinate spaces.Our calculation is based on the four-point Green's function rather than the scattering amplitude.Among the sixteen potential components,eight that vanish in the non-relativistic limit are shown to acquire nonzero relativistic and off-shell corrections.In addition to providing relativistic and off-shell corrections to the operator basis commonly used in the literature,we introduce an alternative operator basis that facilitates the derivation of interaction potentials in the coordinate space.Furthermore,we calculate both the long-range and short-range components of the potentials,which can be useful for future experimental analyses at both macroscopic and atomic scales.
基金funded by the National Natural Science Foundation of China(82070877)the CAMS Innovation Fund for Medical Sciences(CIFMS)(2021-I2M-1-028,2021-I2M-1-005)the International Cooperation Project of Qinghai Province(2020-HZ-803)。
文摘The emergence of meal replacement(MR)originates from physical exercise or fitness as a substitute for one or all meals and later expands to the field of weight loss.Indeed,the main application of current meal replacement is to lose body weight,whether patients with obesity,diabetes,fatty liver,infertile or pregnant women can benefit from weight loss.In addition,MRs still exhibit more biomedical potential in preventing and treating diseases,like anti-diabetes,improving fatty liver and kidney disease,preventing cancer,conceiving and reducing pregnancy complications,and improving life quality.Indeed,there are also disadvantages to meal replacement,including causing adverse effects,although most are acceptable and tolerated.To date,various commercially-developed MRs are walking from dining table to sickbed.Therefore,a scientific understanding of the advantages and disadvantages of meal replacements is crucial for their extensive application beyond biomedical potentials.
基金supported by the National Natural Science Foundation of China(Nos.12265006,12375129,U1867212)the Innovation Project of Guangxi Graduate Education(No.YCSWYCSW2022176)the Guangxi Natural Science Foundation(2017GXNSFGA198001).
文摘Based on the Skyrme energy density functional and reaction Q-value,this study proposed an effective nucleus-nucleus poten-tial for describing the capture barrier in heavy-ion fusion processes.The 443 extracted barrier heights were well reproduced with a root-mean-square(RMS)error of 1.53 MeV,and the RMS deviations with respect to 144 time-dependent Hartree-Fock capture barrier heights were only 1.05 MeV.Coupled with the Siwek-Wilczyński formula,wherein three parameters were determined by the proposed effective potentials,the measured capture cross sections at energies around the barriers were reasonably well reproduced for several fusion reactions induced by nearly spherical nuclei as well as by nuclei with large deformations,such as^(154)Sm and^(238)U.The shallow capture pockets and small values of the average barrier radii resulted in the reduction of the capture cross sections for 52,54Cr-and 64 Ni-induced reactions,which were related to the synthesis of new super-heavy nuclei.
基金Supported by National Natural Science Foundation of China,No.82090034the Key Laboratory of Philosophy and Social Science of Anhui Province on Adolescent Mental Health and Crisis Intelligence Intervention,No.SYS2023B08the Anhui Natural Science Foundation,No.2023AH040086.
文摘BACKGROUND Exploring hypnotherapy's potential to modulate attention bias offers promising avenues for treating social anxiety disorder(SAD).AIM To determine if hypnotherapy can alleviate social anxiety by influencing attention bias,specifically identifying the aspects of attention processes affected by hypnosis.METHODS In this study,69 SAD participants were divided into three groups based on their Liebowitz Social Anxiety Scale scores:Experimental group,control group,and baseline group.The experimental group(n=23)underwent six weekly hypnosis sessions,while the control(n=23)and baseline groups(n=23)received no treatment.To evaluate alterations in SAD severity and attention bias towards threatening stimuli following hypnotherapy,we employed a combination of self-report questionnaires,an odd-one-out task,and electroencephalography recordings.RESULTS The experimental group showed significant reductions in P1,N170,N2pc,and late positive potential(LPP)brain wave activities during attention sensitivity and disengagement conditions.This indicates that hypnotherapy modulates early-stage face processing and later-stage emotional evaluation of threat-related stimuli in SAD patients.CONCLUSION Our findings highlight P1,N170,N2pc,and LPP as key neural markers in SAD treatment.By identifying these neural markers influenced by hypnotherapy,we offer insight into the mechanisms by which this treatment modality impacts attentional processes,potentially easing SAD symptoms.
基金the supporting from the National Key R&D Program of China(Grant No.2022YFA1403102)the National Natural Science Foundation of China(Grant Nos.12474478,92065102,and 12574094)。
文摘The exertion of a long-period potential on two-dimensional(2D)systems leads to band-structure downfolding and the formation of mini flat bands,thereby providing a route for band engineering and enabling the realization of new physical phenomena through the tuning of electron–electron interactions.In this work,the effect of the moiré superlattice formed between the substrate and the bottom quintuple layer(QL)of 3-and 4-QL three-dimensional(3D)topological insulator Sb_(2)Te_(3) thin films on the top surface states is investigated.The scanning tunneling spectra reveal that the bulk-like bands exhibit potential variations consistent with the moirépattern.In contrast,the surface states display only minimal potential variations,resulting in the absence of mini-band formation in the top surface states.These surface states remain nearly unaffected,as confirmed by Landau-level spectroscopy and simulations.The results suggest distinct roles of the bottom-surface moirépotential on the bulk states and the top surface states in the weak coupling regime between the two surfaces.
文摘This study aims to assess the potential of natural tourism in Kosovo,especially in the Dukagjin region as a case study.The main objective is to identify and analyze this region’s tourism potential to understand its impact and importance.180 respondents from the Dukagjin region participated in this study,and the quantitative method was used as a methodology.The measurement instrument consisted of 30 closed questions,which aimed to collect detailed information on the potential of natural tourism in this area.The study results showed that mountain,cultural,winter,healing,and rural tourism are especially important for developing the Dukagjin region.Furthermore,the analysis shows that 30%of the tourism potential is explained by rural tourism,underlining its importance in the local economy.Finally,the study’s findings are discussed,emphasizing their practical value for promoting and developing sustainable tourism in the region.
文摘Solving the Dirac equation has played an important role in many areas of fundamental physics.In this work,we present the Dirac equation solver DiracSVT,which solves the Dirac equation with scalar,vector,and tensor nuclear potentials in spherical coordinate space.The shooting method was used with a Runge–Kutta 4 integration scheme.The potentials are parameterized in a Woods–Saxon form,which reproduce well the known single-particle states around all doubly magic nuclei and can be applied to study the shell evolution of exotic nuclei.The code can be easily extended to the study of other systems,including atomic,hadron,and molecular physics.
基金supported by NSFC under Grant No.12272403Beijing Training Program of Innovation under Grant No.S202410019024。
文摘Introducing PT-symmetric generalized Scarf-Ⅱpotentials into the three-coupled nonlinear Gross-Pitaevskii equations offers a new way to seek stable soliton states in quasi-onedimensional spin-1 Bose-Einstein condensates.In scenarios where the spin-independent parameter c_(0)and the spin-dependent parameter c_(2)vary,we use both analytical and numerical methods to investigate the three-coupled nonlinear Gross-Pitaevskii equations with PT-symmetric generalized Scarf-Ⅱpotentials.We obtain analytical soliton states and find that simply modulating c_(2)may change the analytical soliton states from unstable to stable.Additionally,we obtain numerically stable double-hump soliton states propagating in the form of periodic oscillations,exhibiting distinct behavior in energy exchange.For further investigation,we discuss the interaction of numerical double-hump solitons with Gaussian solitons and observe the transfer of energy among the three components.These findings may contribute to a deeper understanding of solitons in Bose-Einstein condensates with PT-symmetric potentials and may hold significance for both theoretical understanding and experimental design in related physics experiments.
基金support of the RSF Grant No.24-11-00139(analytics,numerical results,manuscript writing)Daxing Xiong acknowledges the support of the NNSF Grant No.12275116,the NSF Grant No.2021J02051,and the startup fund Grant No.MJY21035For Aleksey A.Kudreyko,this work was supported by the Bashkir StateMedicalUniversity StrategicAcademic Leadership Program(PRIORITY-2030)(analytics).
文摘Molecular dynamics(MD)is a powerful method widely used in materials science and solid-state physics.The accuracy of MD simulations depends on the quality of the interatomic potentials.In this work,a special class of exact solutions to the equations of motion of atoms in a body-centered cubic(bcc)lattice is analyzed.These solutions take the form of delocalized nonlinear vibrational modes(DNVMs)and can serve as an excellent test of the accuracy of the interatomic potentials used in MD modeling for bcc crystals.The accuracy of the potentials can be checked by comparing the frequency response of DNVMs calculated using this or that interatomic potential with that calculated using the more accurate ab initio approach.DNVMs can also be used to train new,more accurate machine learning potentials for bcc metals.To address the above issues,it is important to analyze the properties of DNVMs,which is the main goal of this work.Considering only the point symmetry groups of the bcc lattice,34 DNVMs are found.Since interatomic potentials are not used in finding DNVMs,they are exact solutions for any type of potential.Here,the simplest interatomic potentials with cubic anharmonicity are used to simplify the analysis and to obtain some analytical results.For example,the dispersion relations for small-amplitude phonon modes are derived,taking into account interactions between up to the fourth nearest neighbor.The frequency response of the DNVMs is calculated numerically,and for some DNVMs examples of analytical analysis are given.The energy stored by the interatomic bonds of different lengths is calculated,which is important for testing interatomic potentials.The pros and cons of using DNVMs to test and improve interatomic potentials for metals are discussed.Since DNVMs are the natural vibrational modes of bcc crystals,any reliable interatomic potential must reproduce their properties with reasonable accuracy.
文摘We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The free-electron contribution is described by the Maynard–Deutsch–Zimmerman formula,and the bound-electron contribution relies on the Bethe formula with corrections,in particular taking into account density and shell effects.The results of the bound-state computation using three different parametric potentials are investigated within the Garbet formalism for the mean excitation energy.The first parametric potential is due to Green,Sellin,and Zachor,the second one was proposed by Yunta,and the third one was introduced by Klapisch in the framework of atomic-structure computations.The results are compared with those of self-consistent average-atom calculations.This approach correctly bridges the limits of neutral and fully ionized matter.
基金supported by the National Key R&D Program of China(Grant No.2022YFA1004300)the National Natural Science Foundation of China(Grant No.12404004)。
文摘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.
基金supported by the National University of Defense Technology Research Fund Projectthe National Natural Science Foundation of China(Grant No.12534013)the Science and Technology Innovation Program of Hunan Province(Grant Nos.2025ZYJ001 and 2021RC4026)。
文摘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.
基金Project supported by the Excellence Research Group Program for Multiscale Problems in Nonlinear Mechanics of the National Natural Science Foundation of China(Grant No.12588201)the National Key R&D Program of China(Grant No.2025YFB3003603)+1 种基金the National Natural Science Foundation of China(Grant No.12135002)the Fundamental Research Funds for the Central Universities,Peking University,the Beijing Natural Science Foundation(Grant No.QY23030)。
文摘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.
基金supported by the National Natural Science Foundation of China(No.41975156)and the Fundamental Research Funds for the Central Universities.
文摘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.
基金supported by the Natural Science Foundation of Henan Province(No.252300421478)the National Natural Science Foundation of China(Nos.11975209,U2032211,12075287)。
文摘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.
基金supported by the Central Guiding Local Science and Technology Development Fund Projects(No.236Z4203G)the Science Research Project of Hebei Education Department(No.BJK2024008)+2 种基金Hebei Provincial Graduate Demonstration Course Project and Construction Project(No.KCJSX2022085)Tangshan Municipal Science and Technology Plan-Key Research and Development Plan project(No.22150231J)the Opening Project of Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention(LAP3)(No.FDLAP20005).
文摘To understand the transmission paths and potential source areas of fine particulate matter(PM_(2.5))and ozone(O_(3))in Urumqi,using the monitoring data from 2020 to 2022,the pollution characteristics and the transmission paths of PM_(2.5) and O_(3) were studied.Based on the MeteoInfo software,the potential source areas and concentration contributions via the weighted potential source contribution function(WPSCF)and the weighted concentration weighted trajectory(WCWT)were analyzed.Besides,trajectory distribution at different starting heights were compared.The results of the backward trajectory(500 m)showed that the PM_(2.5) and O_(3) clustering trajectories were mainly derived from the northwest and passed through Yining/Ili and Tacheng.The air flow proportion of PM_(2.5) pollution was 44.83%in winter.With the highest pollution concentration(119.2μg/m^(3)),the pollution airflow proportion of O_(3) was 30.52%in summer.According to an analysis of the pressure profile,the atmospheric pressure was below 850 hPa in winter,indicating that the near-surface air mass had a substantial impact on PM_(2.5) concentrations,whereas in summer the pressure for O_(3) rose above 750 hP1,leading to higher pollutant concentrations.The WPSCF/WCWT results of PM_(2.5) demonstrated that the largest potential areas were identified in winter and were mainly distributed in Bozhou,Kuitun,and Shihezi(west of Urumqi,cultivated land/grassland),while the largest potential areas of O_(3) were distributed in Changji(east of Urumqi,barren land)and Turpan(southeast of Urumqi,grassland)in summer.The study indicates that the government should implement stricter measures to control regional transmission and air pollution.
文摘The published article titled“Truncated Bid Overexpression Induced by Recombinant Adenovirus Cre/LoxP System Suppresses the Tumorigenic Potential of CD133+Ovarian Cancer Stem Cells”has been retracted from Oncology Research,Vol.25,No.4,2017,pp.595–603.
文摘The year 2025 marks the 120th anniversary of the birth of Chinese filmmaking.From the first film Dingjun Mountain released in 1905,which captured scenes from Peking opera,to the present day where artificial intelligence(AI)is utilised in film production,the Chinese film industry has been developing for over a century.Data from the China Film Administration shows that China’s 2025 box o"ce revenue topped 51.8 billion yuan($7.4 billion),realising a year-on-year increase of nearly 22 percent.
