The deformation work rate can be expressed by the time rate of pair functional potentials which describe the energy of materi- als in terms of atomic bonds and atom embedding interactions. According to Cauchy-Born rul...The deformation work rate can be expressed by the time rate of pair functional potentials which describe the energy of materi- als in terms of atomic bonds and atom embedding interactions. According to Cauchy-Born rule, the relations between the micro- scopic deformations of atomic bonds and electron gas and macroscopic deformation are established. Further, atomic bonds are grouped according to their directions, and atomic bonds in the same direction are simplified as a spring-bundle component. Atom embedding interactions in unit reference volume are simplified as a cubage component. Consequently, a material model com- posed of spring-bundle components and a cubage component is established. Since the essence of damage is the decrease and loss of atomic bonding forces, the damage effect can be reflected by the response functions of these two kinds of components. For- mulating the mechanical responses of two kinds of components, the corresponding elasto-damage constitutive equations are de- rived. Considering that slip is the main plastic deformation mechanism of polycrystalline metals, the slip systems of crystal are extended to polycrystalline, and the slip components are proposed to describe the plastic deformation. Based on the decomposition of deformation gradient and combining the plastic response with the elasto-damage one, the elasto-plastic damage constitutive equations are derived. As a result, a material model iormulated with spring-bundle components, a cubage component and slip components is established. Different from phenomenological constitutive theories, the mechanical property of materials depends on the property of components rather than that directly obtained on the representative volume element. The effect of finite deformation is taken into account in this model. Parameter calibration procedure and the basic characteristics of this model are discussed.展开更多
Microorganisms were reported to be the indicators and drivers of metal(loid)s-contaminated soils.Chloroflexota is a widelydistributed phylum in arsenic(As)and antimony(Sb)contaminated soils,but the diversity and funct...Microorganisms were reported to be the indicators and drivers of metal(loid)s-contaminated soils.Chloroflexota is a widelydistributed phylum in arsenic(As)and antimony(Sb)contaminated soils,but the diversity and functional potential of its genomes remain largely unknown.In this study,we collected As and Sb contaminated soils from smelting-affected agricultural soils and mining soils,with the latter exhibiting much higher concentrations of As(mean 19421.2 mg kg^(‒1))and Sb(mean 4953.5 mg kg^(‒1))as well as lower carbon and nitrogen levels.We reconstructed 170 medium-to high-quality metagenome-assembled genomes(MAGs)of Chloroflexota from these soils.A total of 11 MAGs were proposed as novel candidate species,including 3 novel candidate genera affiliated with the classes Ktedonobacteria,Limnocylindria,and Dormibacteria.Functional annotation reveals that many MAGs from Ktedonobacteria and Dormibacteria may have novel potential for carbon fixation through the Calvin-Benson-Bassham cycle.Additionally,many Chloroflexota MAGs harbored essential genes involved in enhancing soil phosphorus(P)availability.In Chloroflexota MAGs,the gene responsible for extracellular oxidation,dldH,rather than the intracellular oxidation gene arsO,was widespread for Sb(III)oxidation.Under heavy As and Sb contamination and nutrient limitation,Chloroflexota MAGs exhibited higher guanine-cytosine contents and smaller genome sizes.Moreover,MAGs derived from these conditions were enriched with a higher proportion of genes related to Sb oxidation,As/P transport,As reduction and methylation,as well as pathways involved in carbohydrate degradation and bioavailable nitrogen biosynthesis.These findings might be helpful for developing bioremediation strategy for Chloroflexota in As/Sb contaminated soils.展开更多
Soil microbial functions are closely related to ecosystem productivity,carbon sequestration and their responses to global change.Tree phylogenetic diversity(TPD)has been found to impact microbial community composition...Soil microbial functions are closely related to ecosystem productivity,carbon sequestration and their responses to global change.Tree phylogenetic diversity(TPD)has been found to impact microbial community composition,diversity and functions,but how it modulates the linkage between microbial community facets and functions remains unclear.Here,45 plots covering a natural gradient of TPD were selected in a subtropical forest of southwest China to explore how increasing TPD impacts soil microbial community facets and microbial functional potential.The microbial functional potential was evaluated based on the abundances of carbon,nitrogen and phosphorus cycling-related functional genes.Soil fungal alpha diversity increased significantly,but bacterial alpha diversity did not change as TPD increased.Both soil microbial network complexity and stability improved significantly with increasing TPD.Ultimately,increasing TPD promoted soil microbial functional potential by stimulating soil carbon and nitrogen availability,microbial keystone diversity and network stability collectively.These findings emphasize the critical roles of keystone taxa and network stability as microbial factors in stimulating soil microbial function in response to increasing TPD.Therefore,it is strongly recommended to increase TPD so as to stimulate soil microbial functions and other ecosystem functions when implementing afforestation or ecological restoration projects.展开更多
In this paper,we mainly focus on a type of nonlinear Choquard equations with nonconstant potential.Under appropriate hypotheses on potential function and nonlinear terms,we prove that the above Choquard equation with ...In this paper,we mainly focus on a type of nonlinear Choquard equations with nonconstant potential.Under appropriate hypotheses on potential function and nonlinear terms,we prove that the above Choquard equation with prescribed 2-norm has some normalized solutions by introducing variational methods.展开更多
Black carbon (BC) aerosols are considered key factors that contribute to rapid climate warming and ice melt in the Arctic region.However,compared with long-term observations from land-based stations,observational data...Black carbon (BC) aerosols are considered key factors that contribute to rapid climate warming and ice melt in the Arctic region.However,compared with long-term observations from land-based stations,observational data over the Arctic Ocean remain relatively scarce.Four Arctic scientific expeditions were conducted in the summer and early autumn of 2010,2012,2016,and 2018 via the Chinese research vessel Xue Long,during which the BC concentrations along the routes were measured via light absorption methods.In this work,the spatiotemporal distribution characteristics of BC over the Arctic Ocean were examined on the basis of these observations.The potential sources of BC along the various routes were analyzed via the weighted potential source contribution function and weighted concentrationweighted trajectory methods of the hybrid single-particle Lagrangian integrated trajectory model in conjunction with Arctic transport potential climate model simulations.The analysis results indicated that wildfires in the western Aleutian Islands,Siberia,and Far East regions were the primary contributors to the BC aerosol concentration observed along the Arctic expedition routes in summer,identifying these regions as major potential source areas.展开更多
The increasing application of anammox processes suggests their enormous potential for nitrogen removal in wastewater treatment facilities.However,the functional potentials and ecological differentiation of cooccurring...The increasing application of anammox processes suggests their enormous potential for nitrogen removal in wastewater treatment facilities.However,the functional potentials and ecological differentiation of cooccurring anammox species in complex ecosystems have not been well elucidated.Herein,by utilizing functional reconstruction and comparative genome analysis,we deciphered the cooccurring mechanisms of four Candidatus Brocadia species that were spontaneously enriched in a full-scale swine wastewater treatment system.Phylogenetic analysis indicated that species SW172 and SW745 were closely related to Ca.Brocadia caroliniensis and Ca.Brocadia sapporoensis,respectively,whereas the dominant species SW510 and SW773,with a total average abundance of 34.1%,were classified as novel species of the genus Ca.Brocadia.Functional reconstruction revealed that the novel species SW510 can encode both cytochrome cd1-type nitrite reductase and hydroxylamine oxidase for nitrite reduction.In contrast,the detected respiratory pentaheme cytochrome c nitrite reductase and acetate kinase genes suggested that SW773 likely reduced nitrite to ammonium with acetate as a carbon source.Intriguingly,the presence of genes encoding urease and cyanase indicated that both novel species can use diverse organic nitrogen compounds in addition to ammonia and nitrite as substrates.Taken together,the recovery and comparative analysis of these anammox genomes expand our understanding of the functional differentiation and cooccurrence of the genus Ca.Brocadia in wastewater treatment systems.展开更多
BACKGROUND ： The recordings of evoked spinal cord potentials following epidural spinal cord stimulation are thought to be generated by volleys traversing the dorsal column pathway, and it may not directly reflect con...BACKGROUND ： The recordings of evoked spinal cord potentials following epidural spinal cord stimulation are thought to be generated by volleys traversing the dorsal column pathway, and it may not directly reflect conduction defects in corticospinat tracts of cervical spinal cord. To our knowledge there has been few report using several evoked spinal cord potentials in function evaluation of the cervical spinal cord in eldedy patients with cervical spondylotic myelopathy （CSM）. OBJECTIVE： To investigate the function states of the cervical spinal cord in elderly patients with CSM and explore its pathophysictogic mechanism. DESIGN： Case observation SETTING ： Department of Orthopedics for the aged, Shenzhen Pingle Hospital of Orthopedics. Department of Orthopedic Surgery, Yamaguchi University School of Medicine. PARTICIPANTS ： A total of 23 eldedy patients with CSM who received treatment in the Department of Orthopedic Surgery, Yamaguchi University School of Medicine of Japan from January 2003 to February 2004 were enrolled in this study. Inclusive criteria： ① Multiple intervertebral levels of cervical spinal cord compression confirmed by MRI, e.g. 3 or more than 3 levels of compressin. ② Age ≥ 70 years old. ③ Numbness and sensory disturbance in the upper limbs and showed hyperreflexia in the lower limbs. Exclusive criteria： Patients with abnormal motor and sensory nerve conduction velocities in both upper and lower limbs were excluded. METHODS： Evoked spinal cord potentials （ESCPs） following transcranial electric stimulation （TCE-ESCPs）, epidural spinal cord stimulation （SpinaI-ESCPs） and median nerve stimulation （MN-ESCPs） were recorded in 23 patients from posterior epidural space intreoperatively. The abnormalities of TCE-ESCPs were defined as attenuation of amplitude of the D wave. The most cranial intervertebral level showing abnormal TCE-ESCPs with a marked reduction in size of the negative peak （reduction of over 50%） was considered as the upper level of the spinal cord lesion with respect to the corticospinal tract in white matter. The abnormalities of SpinaI-ESCPs were defined as marked reduction in the size of negative peak （reduction of over 50%）. The most caudal intervertebral level showing abnormal SpinaI-ESCPs was considered as the lower level of the spinal cord lesion with respect to the dorsal column pathway in white matter. The abnormalities of MN-ESCPs were defined as attenuation of the N13 amplitude,which was considered as the lesion level of the spinal cord with respect to the dorsal horn in gray matter. Radiological investigation： Lateral view of plain X-ray films was obtained in flexion and extension of the cervical spine. Instability of the cervical intervertebral level was determined as horizontal displacement of the vertebral body of over 3 mm. MAIN OUTCOME MEASURES ： The results of examination of TCE-ESCPs, SpinaI-ESCPs and MN-ESCPs in el- dedy patients with CSM. RESULTS： The 23 eldedy patients with CSM were participated in the result analysis. ①TCE-ESCPs： The impairment of the corticospinal tract in white matter at single intervertebral level was revealed in 18 of 23 patients by recordings of TCE-ESCPs （sensitivity 78%）. In the 18 patients, the lesion level was shown at the up- per cervical segment in 14 patients （C3-4n=10 and C4-5n=4）, and at the lower cervical segment in 4 patients （C5-6n=4）. ②Spinal-ESCPs： The impairment of the dorsal column pathway of white matter at single intervertebral level was revealed in 17 of 23 patients, by recordings of Spinal-ESCPs （sensitivity 74%）. In the 17 patients, the lesion level was presented at the upper cervical segment in 14 patients （C3-4n=10 and C4-5n=4）, and at the lower cervical segment in 3 patients （C5-6 n=3）. ③MN-ESCPs： All patients revealed abnormal MN-ESCPs at one or more intervertebral levels （sensitivity 100%）. The impairment at single intervertebral level was demonstrated in 17 patients, and the impairment at multiple intervertebral levels was shown in 4 patients （3 patients at the C3-4, C4-4, and C5-4~6, and one patient at the C4-5, C5-6, and C6-7）. ④Radiological findings： The Instability of the intervertebral level at the C3-4 or C4-5 motion segment was seen in 15 patients, with a total of 20 levels, and where 10 were at the C3-4 intervertebral level and 5 were at the C3-4, C4-5 intervertebral level. CONCLUSION ： The results suggest that in most elderly patients with CSM who have multiple intervertebral level compressions of the cervical spinal cord on MRI, white matter is impaired at the single cervical intervertebral level, and not only the dorsal column pathway, but also the corticospinal tract can be affected. Combined the findings of radiography, the excessive motion and instability of the C3-4 or C4-5 intervertebral level plays an important role in inducing the long tract lesion in elderly patients with CSM.展开更多
In this paper,we mainly focus on the following Choquard equation-{△u-V(x)(I_(a*)|u|^(p))|u|^(p-2)u=λu,x∈R^(N),u∈H^(1)(R^(N))where N≥1,λ∈R will arise as a Lagrange multiplier,0<a<N and N+a/N<p<N+a+2/...In this paper,we mainly focus on the following Choquard equation-{△u-V(x)(I_(a*)|u|^(p))|u|^(p-2)u=λu,x∈R^(N),u∈H^(1)(R^(N))where N≥1,λ∈R will arise as a Lagrange multiplier,0<a<N and N+a/N<p<N+a+2/N Under appropriate hypotheses on V(x),we prove that the above Choquard equation has a normalized ground state solution by utilizing variational methods.展开更多
Small video satellites have unique advantages of short development cycle,agile attitude maneuver,real-time video imaging.They have broad application prospects in space debris,faulty spacecraft,and other space target d...Small video satellites have unique advantages of short development cycle,agile attitude maneuver,real-time video imaging.They have broad application prospects in space debris,faulty spacecraft,and other space target detection and tracking.However,when a space target first enters the camera’s visual field,it has a relatively large angular velocity relative to the satellite,which makes it easy to deviate from the visual field and cause off-target problems.This paper proposes a novel visual tracking control method based on potential function preventing missed targets in space.Firstly,a circular area in the image plane is designed as a mandatory restricted projection area of the target and a visual tracking controller based on image error.Then,a potential function is designed to ensure continuous and stable tracking of the target after entering the visual field.Finally,the stability of the control is proved using Barbarat’s lemma.By setting the same conditions and comparing with the simulation results of the proportion-derivative(PD)control method,the results show that when there is a large relative attitude motion angular velocity between the target and the satellite,the track-ing method based on potential function can ensure that the tar-get does not deviate from the field-of-view during the tracking control process,and the projection of target is controlled to the desired position.The proposed control method is effective in eliminating tracking error and preventing off-target simultane-ously.展开更多
Potential energy scan for uranium oxide （UO） was performed by ab initio configuration inter- action （CI） method and density functional theory methods at the PBE1 and the B3LYP levels in combination with the （ECPS...Potential energy scan for uranium oxide （UO） was performed by ab initio configuration inter- action （CI） method and density functional theory methods at the PBE1 and the B3LYP levels in combination with the （ECPSOMWB_AVQZ＋2f） basis set for uranium and 6-311＋G＊ for oxygen. The dissociation energies of UO, after being corrected for the zero-point vibrational energy, are 2.38, 3.76, and 3.31 eV at the CI, PBE1, and BaLYP levels, respectively. The calculated energy was fitted to potential functions of Morse, Lennard-Jones, and Rydberg. Only the Morse function is eligible for the potential. The anharmonieity constant is 0.00425. The anharmonic frequency is 540.95 em-1 deduced from the PBE1 results. Thermodynamic properties of entropy and heat capacity at 298.2-1500 K were calculated using DFT-UPBE1 results and Morse parameters. The relationship between entropy and temperature was established.展开更多
In the realm of missile defense systems,the self-sufficient maneuver capacity of missile swarms is pivotal for their survival.Through the analysis of the missile dynamics model,a time-efficient cooperative attack stra...In the realm of missile defense systems,the self-sufficient maneuver capacity of missile swarms is pivotal for their survival.Through the analysis of the missile dynamics model,a time-efficient cooperative attack strategy for missile swarm is proposed.Based on the distribution of the attackers and defenders,the collision avoidance against the defenders is considered during the attack process.By analyzing the geometric relationship between the relative velocity vector and relative position vector of the attackers and defenders,the collision avoidance constrains of attacking swarm are redefined.The key point is on adjusting the relative velocity vectors to fall outside the collision cone.This work facilitates high-precision attack toward the target while keeping safe missing distance between other attackers during collision avoidance process.By leveraging an innovative repulsion artificial function,a time-efficient cooperative attack strategy for missile swarm is obtained.Through rigorous simulation,the effectiveness of this cooperative attack strategy is substantiated.Furthermore,by employing Monte Carlo simulation,the success rate of the cooperative attack strategy is assessesed and the optimal configuration for the missile swarm is deduced.展开更多
Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are o...Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.展开更多
Based on the double integrator mathematic model, a new kind of potential function is presented in this paper by referring to the concepts of the electric field; then a new formation control method is proposed, in whic...Based on the double integrator mathematic model, a new kind of potential function is presented in this paper by referring to the concepts of the electric field; then a new formation control method is proposed, in which the potential functions are used between agent-agent and between agent-obstacle, while state feedback control is applied for the agent and its goal. This strategy makes the whole potential field simpler and helps avoid some local minima. The stability of this combination of potential functions and state feedback control is proven. Some simulations are presented to show the rationality of this control method.展开更多
In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, har...In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell-Sorbie potential energy function from our ab initio calculation results. The spectroscopic data （αe, ωe and ωeχe） of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data.展开更多
The reasonable dissociation limit of the second excited singlet state B1∏ of ^7LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B^∏ state are calculated using a symmetry-ada...The reasonable dissociation limit of the second excited singlet state B1∏ of ^7LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B^∏ state are calculated using a symmetry-adaptedcluster configuration interaction method in full active space. The whole potential energy curve for the B1H state is obtained over the internuclear distance ranging from about 0.10 nm to 0,54 nm, and has a least-square fit to the analytic Murrell-Sorbie function form. The vertical excitation energy is calculated from the ground state to the B^1∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B^1∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.展开更多
Acupuncture can be used to treat various nervous system diseases.Here,168 vascular dementia patients were orally administered donepezil hydrochloride alone（5 mg/day,once a day for 56 days）,or combined with acupunctu...Acupuncture can be used to treat various nervous system diseases.Here,168 vascular dementia patients were orally administered donepezil hydrochloride alone（5 mg/day,once a day for 56 days）,or combined with acupuncture at Shenting（DU24）,Tianzhu（BL10）,Sishencong（Extra）,Yintang（Extra）,Renzhong（DU26）,Neiguan（PC6）,Shenmen（HT7）,Fengchi（GB20）,Wangu（GB12） and Baihui（DU20）（once a day for 56 days）.Compared with donepezil hydrochloride alone,P300 event related potential latency was shorter with an increased amplitude in patients treated with donepezil hydrochloride and acupuncture.Mini-Mental State Examination score was also higher.Moreover,these differences in P300 latency were identified within different infarcted regions in patients treated with donepezil hydrochloride and acupuncture.These findings indicate that acupuncture combined with donepezil hydrochloride noticeably improves cognitive function in patients with vascular dementia,and exerts neuroprotective effects against vascular dementia.展开更多
The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR s...The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD （T） method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect.展开更多
Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other p...Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other physical properties parameters are obtained. On the basis of setting appropriate parameters, scanning single point energies are obtained by the same method and the potential energy curves under different external fields are also obtained. These results show that the physical property parameters and potential energy curves may change with external electric field, especially in the case of reverse direction electric field. The potential energy function without external electric field is fitted by Morse potential, and the fitting parameters are obtained which are in good agreement with experimental values. In order to obtain the critical dissociation electric parameter, the dipole approximation is adopted to construct a potential model fitting the corresponding potential energy curve of the external electric field. It is found that the fitted critical dissociation electric parameter is consistent with numerical calculation, so that the constructed model is reliable and accurate. These results will provide important theoretical and experimental reference for further studying the molecular spectrum, dynamics, and molecular cooling with Stark effect.展开更多
In a recent reformulation of quantum mechanics, the properties of the physical system are derived from orthogonal polynomials that make up the expansion coefficients of the wavefunction in a complete set of square int...In a recent reformulation of quantum mechanics, the properties of the physical system are derived from orthogonal polynomials that make up the expansion coefficients of the wavefunction in a complete set of square integrable basis. Here, we show how to reconstruct the potential function so that a correspondence with the standard formulation could be established. However, the correspondence places restriction on the kinematics of such problems.展开更多
The comparison between single-point energy scanning （SPES） and geometry optimization （OPT） in determining the equilibrium geometries of c^3∑g^＋ and B^1-Пu states of dimer 7Li2 is made at numerous basis sets by ...The comparison between single-point energy scanning （SPES） and geometry optimization （OPT） in determining the equilibrium geometries of c^3∑g^＋ and B^1-Пu states of dimer 7Li2 is made at numerous basis sets by using a symmetryadapted-cluster configuration-interaztion （SAC-CI） method in the Gaussian 03 program package. In this paper the difference of the equilibrium geometries obtained by SPES and by OPT is reported. The results obtained by SPES are found to be more reasonable than those obtained by OPT in full active space at the present SAC-CI level of theory. And the conclusion is attained that the cc-PVTZ is a most suitable basis set for these states. The calculated dissociation energies and equilibrium geometries are 0.8818 eV and 0.3090 nm for c^3∑g^＋ state, and 0.3668 eV and 0.2932 nm for B^1-Пu state respectively. The potential energy curves are calculated over a wide internuclear distance range from about 2.5α0 to 37α0 and have a least-squares fit into the Murrell-Sorbie function. According to the calculated analytic potential energy functions, the harmonic frequencies （We） and other spectroscopic data （ωeXe, Be and αe） are calculated. Comparison of the theoretical determinations at present work with the experiments and other theories clearly shows that the present work is the most complete effort and thus represents an improvement over previous theoretical results.展开更多
基金National Natural Science Foundation of China (10572140,10721202)
文摘The deformation work rate can be expressed by the time rate of pair functional potentials which describe the energy of materi- als in terms of atomic bonds and atom embedding interactions. According to Cauchy-Born rule, the relations between the micro- scopic deformations of atomic bonds and electron gas and macroscopic deformation are established. Further, atomic bonds are grouped according to their directions, and atomic bonds in the same direction are simplified as a spring-bundle component. Atom embedding interactions in unit reference volume are simplified as a cubage component. Consequently, a material model com- posed of spring-bundle components and a cubage component is established. Since the essence of damage is the decrease and loss of atomic bonding forces, the damage effect can be reflected by the response functions of these two kinds of components. For- mulating the mechanical responses of two kinds of components, the corresponding elasto-damage constitutive equations are de- rived. Considering that slip is the main plastic deformation mechanism of polycrystalline metals, the slip systems of crystal are extended to polycrystalline, and the slip components are proposed to describe the plastic deformation. Based on the decomposition of deformation gradient and combining the plastic response with the elasto-damage one, the elasto-plastic damage constitutive equations are derived. As a result, a material model iormulated with spring-bundle components, a cubage component and slip components is established. Different from phenomenological constitutive theories, the mechanical property of materials depends on the property of components rather than that directly obtained on the representative volume element. The effect of finite deformation is taken into account in this model. Parameter calibration procedure and the basic characteristics of this model are discussed.
基金financially supported by the National Key Research and Development Program of China(Grant No.2020YFC1807700)by complementary fund from the Guizhou Provincial Department of Science and Technology+2 种基金by Guizhou Provincial 2021 Science and Technology Subsidies(Grant No.GZ2021SIG)by the Chinese Academy of Sciences"Light of West China"Programby Guizhou Provincial Science and Technology Projects(Grant No.ZK[2022]328).
文摘Microorganisms were reported to be the indicators and drivers of metal(loid)s-contaminated soils.Chloroflexota is a widelydistributed phylum in arsenic(As)and antimony(Sb)contaminated soils,but the diversity and functional potential of its genomes remain largely unknown.In this study,we collected As and Sb contaminated soils from smelting-affected agricultural soils and mining soils,with the latter exhibiting much higher concentrations of As(mean 19421.2 mg kg^(‒1))and Sb(mean 4953.5 mg kg^(‒1))as well as lower carbon and nitrogen levels.We reconstructed 170 medium-to high-quality metagenome-assembled genomes(MAGs)of Chloroflexota from these soils.A total of 11 MAGs were proposed as novel candidate species,including 3 novel candidate genera affiliated with the classes Ktedonobacteria,Limnocylindria,and Dormibacteria.Functional annotation reveals that many MAGs from Ktedonobacteria and Dormibacteria may have novel potential for carbon fixation through the Calvin-Benson-Bassham cycle.Additionally,many Chloroflexota MAGs harbored essential genes involved in enhancing soil phosphorus(P)availability.In Chloroflexota MAGs,the gene responsible for extracellular oxidation,dldH,rather than the intracellular oxidation gene arsO,was widespread for Sb(III)oxidation.Under heavy As and Sb contamination and nutrient limitation,Chloroflexota MAGs exhibited higher guanine-cytosine contents and smaller genome sizes.Moreover,MAGs derived from these conditions were enriched with a higher proportion of genes related to Sb oxidation,As/P transport,As reduction and methylation,as well as pathways involved in carbohydrate degradation and bioavailable nitrogen biosynthesis.These findings might be helpful for developing bioremediation strategy for Chloroflexota in As/Sb contaminated soils.
基金supported by National Natural Science Foundation of China(U22A20560,U21A2007)International Partnership Program of Chinese Academy of Sciences(177GJHZ2022020BS).
文摘Soil microbial functions are closely related to ecosystem productivity,carbon sequestration and their responses to global change.Tree phylogenetic diversity(TPD)has been found to impact microbial community composition,diversity and functions,but how it modulates the linkage between microbial community facets and functions remains unclear.Here,45 plots covering a natural gradient of TPD were selected in a subtropical forest of southwest China to explore how increasing TPD impacts soil microbial community facets and microbial functional potential.The microbial functional potential was evaluated based on the abundances of carbon,nitrogen and phosphorus cycling-related functional genes.Soil fungal alpha diversity increased significantly,but bacterial alpha diversity did not change as TPD increased.Both soil microbial network complexity and stability improved significantly with increasing TPD.Ultimately,increasing TPD promoted soil microbial functional potential by stimulating soil carbon and nitrogen availability,microbial keystone diversity and network stability collectively.These findings emphasize the critical roles of keystone taxa and network stability as microbial factors in stimulating soil microbial function in response to increasing TPD.Therefore,it is strongly recommended to increase TPD so as to stimulate soil microbial functions and other ecosystem functions when implementing afforestation or ecological restoration projects.
基金Supported by the National Natural Science Foundation of China(11671403,11671236,12101192)Henan Provincial General Natural Science Foundation Project(232300420113)。
文摘In this paper,we mainly focus on a type of nonlinear Choquard equations with nonconstant potential.Under appropriate hypotheses on potential function and nonlinear terms,we prove that the above Choquard equation with prescribed 2-norm has some normalized solutions by introducing variational methods.
基金supported by the National Natural Science Foundation of China (No.42201151)the Basic Research Fund of the Chinese Academy of Meteorological Sciences (Nos.2023Z004 and 2024Z007)。
文摘Black carbon (BC) aerosols are considered key factors that contribute to rapid climate warming and ice melt in the Arctic region.However,compared with long-term observations from land-based stations,observational data over the Arctic Ocean remain relatively scarce.Four Arctic scientific expeditions were conducted in the summer and early autumn of 2010,2012,2016,and 2018 via the Chinese research vessel Xue Long,during which the BC concentrations along the routes were measured via light absorption methods.In this work,the spatiotemporal distribution characteristics of BC over the Arctic Ocean were examined on the basis of these observations.The potential sources of BC along the various routes were analyzed via the weighted potential source contribution function and weighted concentrationweighted trajectory methods of the hybrid single-particle Lagrangian integrated trajectory model in conjunction with Arctic transport potential climate model simulations.The analysis results indicated that wildfires in the western Aleutian Islands,Siberia,and Far East regions were the primary contributors to the BC aerosol concentration observed along the Arctic expedition routes in summer,identifying these regions as major potential source areas.
基金supported by the National Natural Science Foundation of China(Nos.52000185,51878675,and 51622813)the Natural Science Foundation of Guangdong Province(No.2021A1515010512)the Fundamental Research Funds for the Central Universities,Sun Yat-sen University(No.2021qntd07).
文摘The increasing application of anammox processes suggests their enormous potential for nitrogen removal in wastewater treatment facilities.However,the functional potentials and ecological differentiation of cooccurring anammox species in complex ecosystems have not been well elucidated.Herein,by utilizing functional reconstruction and comparative genome analysis,we deciphered the cooccurring mechanisms of four Candidatus Brocadia species that were spontaneously enriched in a full-scale swine wastewater treatment system.Phylogenetic analysis indicated that species SW172 and SW745 were closely related to Ca.Brocadia caroliniensis and Ca.Brocadia sapporoensis,respectively,whereas the dominant species SW510 and SW773,with a total average abundance of 34.1%,were classified as novel species of the genus Ca.Brocadia.Functional reconstruction revealed that the novel species SW510 can encode both cytochrome cd1-type nitrite reductase and hydroxylamine oxidase for nitrite reduction.In contrast,the detected respiratory pentaheme cytochrome c nitrite reductase and acetate kinase genes suggested that SW773 likely reduced nitrite to ammonium with acetate as a carbon source.Intriguingly,the presence of genes encoding urease and cyanase indicated that both novel species can use diverse organic nitrogen compounds in addition to ammonia and nitrite as substrates.Taken together,the recovery and comparative analysis of these anammox genomes expand our understanding of the functional differentiation and cooccurrence of the genus Ca.Brocadia in wastewater treatment systems.
文摘BACKGROUND ： The recordings of evoked spinal cord potentials following epidural spinal cord stimulation are thought to be generated by volleys traversing the dorsal column pathway, and it may not directly reflect conduction defects in corticospinat tracts of cervical spinal cord. To our knowledge there has been few report using several evoked spinal cord potentials in function evaluation of the cervical spinal cord in eldedy patients with cervical spondylotic myelopathy （CSM）. OBJECTIVE： To investigate the function states of the cervical spinal cord in elderly patients with CSM and explore its pathophysictogic mechanism. DESIGN： Case observation SETTING ： Department of Orthopedics for the aged, Shenzhen Pingle Hospital of Orthopedics. Department of Orthopedic Surgery, Yamaguchi University School of Medicine. PARTICIPANTS ： A total of 23 eldedy patients with CSM who received treatment in the Department of Orthopedic Surgery, Yamaguchi University School of Medicine of Japan from January 2003 to February 2004 were enrolled in this study. Inclusive criteria： ① Multiple intervertebral levels of cervical spinal cord compression confirmed by MRI, e.g. 3 or more than 3 levels of compressin. ② Age ≥ 70 years old. ③ Numbness and sensory disturbance in the upper limbs and showed hyperreflexia in the lower limbs. Exclusive criteria： Patients with abnormal motor and sensory nerve conduction velocities in both upper and lower limbs were excluded. METHODS： Evoked spinal cord potentials （ESCPs） following transcranial electric stimulation （TCE-ESCPs）, epidural spinal cord stimulation （SpinaI-ESCPs） and median nerve stimulation （MN-ESCPs） were recorded in 23 patients from posterior epidural space intreoperatively. The abnormalities of TCE-ESCPs were defined as attenuation of amplitude of the D wave. The most cranial intervertebral level showing abnormal TCE-ESCPs with a marked reduction in size of the negative peak （reduction of over 50%） was considered as the upper level of the spinal cord lesion with respect to the corticospinal tract in white matter. The abnormalities of SpinaI-ESCPs were defined as marked reduction in the size of negative peak （reduction of over 50%）. The most caudal intervertebral level showing abnormal SpinaI-ESCPs was considered as the lower level of the spinal cord lesion with respect to the dorsal column pathway in white matter. The abnormalities of MN-ESCPs were defined as attenuation of the N13 amplitude,which was considered as the lesion level of the spinal cord with respect to the dorsal horn in gray matter. Radiological investigation： Lateral view of plain X-ray films was obtained in flexion and extension of the cervical spine. Instability of the cervical intervertebral level was determined as horizontal displacement of the vertebral body of over 3 mm. MAIN OUTCOME MEASURES ： The results of examination of TCE-ESCPs, SpinaI-ESCPs and MN-ESCPs in el- dedy patients with CSM. RESULTS： The 23 eldedy patients with CSM were participated in the result analysis. ①TCE-ESCPs： The impairment of the corticospinal tract in white matter at single intervertebral level was revealed in 18 of 23 patients by recordings of TCE-ESCPs （sensitivity 78%）. In the 18 patients, the lesion level was shown at the up- per cervical segment in 14 patients （C3-4n=10 and C4-5n=4）, and at the lower cervical segment in 4 patients （C5-6n=4）. ②Spinal-ESCPs： The impairment of the dorsal column pathway of white matter at single intervertebral level was revealed in 17 of 23 patients, by recordings of Spinal-ESCPs （sensitivity 74%）. In the 17 patients, the lesion level was presented at the upper cervical segment in 14 patients （C3-4n=10 and C4-5n=4）, and at the lower cervical segment in 3 patients （C5-6 n=3）. ③MN-ESCPs： All patients revealed abnormal MN-ESCPs at one or more intervertebral levels （sensitivity 100%）. The impairment at single intervertebral level was demonstrated in 17 patients, and the impairment at multiple intervertebral levels was shown in 4 patients （3 patients at the C3-4, C4-4, and C5-4~6, and one patient at the C4-5, C5-6, and C6-7）. ④Radiological findings： The Instability of the intervertebral level at the C3-4 or C4-5 motion segment was seen in 15 patients, with a total of 20 levels, and where 10 were at the C3-4 intervertebral level and 5 were at the C3-4, C4-5 intervertebral level. CONCLUSION ： The results suggest that in most elderly patients with CSM who have multiple intervertebral level compressions of the cervical spinal cord on MRI, white matter is impaired at the single cervical intervertebral level, and not only the dorsal column pathway, but also the corticospinal tract can be affected. Combined the findings of radiography, the excessive motion and instability of the C3-4 or C4-5 intervertebral level plays an important role in inducing the long tract lesion in elderly patients with CSM.
基金Supported by National Natural Science Foundation of China(Grant Nos.11671403 and 11671236)Henan Provincial General Natural Science Foundation Project(Grant No.232300420113)National Natural Science Foundation of China Youth Foud of China Youth Foud(Grant No.12101192).
文摘In this paper,we mainly focus on the following Choquard equation-{△u-V(x)(I_(a*)|u|^(p))|u|^(p-2)u=λu,x∈R^(N),u∈H^(1)(R^(N))where N≥1,λ∈R will arise as a Lagrange multiplier,0<a<N and N+a/N<p<N+a+2/N Under appropriate hypotheses on V(x),we prove that the above Choquard equation has a normalized ground state solution by utilizing variational methods.
文摘Small video satellites have unique advantages of short development cycle,agile attitude maneuver,real-time video imaging.They have broad application prospects in space debris,faulty spacecraft,and other space target detection and tracking.However,when a space target first enters the camera’s visual field,it has a relatively large angular velocity relative to the satellite,which makes it easy to deviate from the visual field and cause off-target problems.This paper proposes a novel visual tracking control method based on potential function preventing missed targets in space.Firstly,a circular area in the image plane is designed as a mandatory restricted projection area of the target and a visual tracking controller based on image error.Then,a potential function is designed to ensure continuous and stable tracking of the target after entering the visual field.Finally,the stability of the control is proved using Barbarat’s lemma.By setting the same conditions and comparing with the simulation results of the proportion-derivative(PD)control method,the results show that when there is a large relative attitude motion angular velocity between the target and the satellite,the track-ing method based on potential function can ensure that the tar-get does not deviate from the field-of-view during the tracking control process,and the projection of target is controlled to the desired position.The proposed control method is effective in eliminating tracking error and preventing off-target simultane-ously.
文摘Potential energy scan for uranium oxide （UO） was performed by ab initio configuration inter- action （CI） method and density functional theory methods at the PBE1 and the B3LYP levels in combination with the （ECPSOMWB_AVQZ＋2f） basis set for uranium and 6-311＋G＊ for oxygen. The dissociation energies of UO, after being corrected for the zero-point vibrational energy, are 2.38, 3.76, and 3.31 eV at the CI, PBE1, and BaLYP levels, respectively. The calculated energy was fitted to potential functions of Morse, Lennard-Jones, and Rydberg. Only the Morse function is eligible for the potential. The anharmonieity constant is 0.00425. The anharmonic frequency is 540.95 em-1 deduced from the PBE1 results. Thermodynamic properties of entropy and heat capacity at 298.2-1500 K were calculated using DFT-UPBE1 results and Morse parameters. The relationship between entropy and temperature was established.
基金supported by the Intelligent Aerospace System Leading Innovation Team Program of Zhejiang(2022R01003).
文摘In the realm of missile defense systems,the self-sufficient maneuver capacity of missile swarms is pivotal for their survival.Through the analysis of the missile dynamics model,a time-efficient cooperative attack strategy for missile swarm is proposed.Based on the distribution of the attackers and defenders,the collision avoidance against the defenders is considered during the attack process.By analyzing the geometric relationship between the relative velocity vector and relative position vector of the attackers and defenders,the collision avoidance constrains of attacking swarm are redefined.The key point is on adjusting the relative velocity vectors to fall outside the collision cone.This work facilitates high-precision attack toward the target while keeping safe missing distance between other attackers during collision avoidance process.By leveraging an innovative repulsion artificial function,a time-efficient cooperative attack strategy for missile swarm is obtained.Through rigorous simulation,the effectiveness of this cooperative attack strategy is substantiated.Furthermore,by employing Monte Carlo simulation,the success rate of the cooperative attack strategy is assessesed and the optimal configuration for the missile swarm is deduced.
基金This work was supported by the National Natural Science Foundation of China (No. 40274044).
文摘Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.
基金the Jiangsu Province Fundamental Research Plan (Natural Science Foundation) (No.BK2006202).
文摘Based on the double integrator mathematic model, a new kind of potential function is presented in this paper by referring to the concepts of the electric field; then a new formation control method is proposed, in which the potential functions are used between agent-agent and between agent-obstacle, while state feedback control is applied for the agent and its goal. This strategy makes the whole potential field simpler and helps avoid some local minima. The stability of this combination of potential functions and state feedback control is proven. Some simulations are presented to show the rationality of this control method.
文摘In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell-Sorbie potential energy function from our ab initio calculation results. The spectroscopic data （αe, ωe and ωeχe） of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data.
基金Project supported by the National Natural Science Foundation of China （Grant No 10174019）, Henan Innovation for University Prominent Research Talents （2006KYCX002） and the Natural Science Foundation of Henan Province, China （Grant No 2006140008）.Acknowledgment The authors would like to heartily thank Professor Zhu Z H, of Sichuan University, for his helpful discussion about the reasonable dissociation limits at the planning stages of these calculations.
文摘The reasonable dissociation limit of the second excited singlet state B1∏ of ^7LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B^∏ state are calculated using a symmetry-adaptedcluster configuration interaction method in full active space. The whole potential energy curve for the B1H state is obtained over the internuclear distance ranging from about 0.10 nm to 0,54 nm, and has a least-square fit to the analytic Murrell-Sorbie function form. The vertical excitation energy is calculated from the ground state to the B^1∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B^1∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.
文摘Acupuncture can be used to treat various nervous system diseases.Here,168 vascular dementia patients were orally administered donepezil hydrochloride alone（5 mg/day,once a day for 56 days）,or combined with acupuncture at Shenting（DU24）,Tianzhu（BL10）,Sishencong（Extra）,Yintang（Extra）,Renzhong（DU26）,Neiguan（PC6）,Shenmen（HT7）,Fengchi（GB20）,Wangu（GB12） and Baihui（DU20）（once a day for 56 days）.Compared with donepezil hydrochloride alone,P300 event related potential latency was shorter with an increased amplitude in patients treated with donepezil hydrochloride and acupuncture.Mini-Mental State Examination score was also higher.Moreover,these differences in P300 latency were identified within different infarcted regions in patients treated with donepezil hydrochloride and acupuncture.These findings indicate that acupuncture combined with donepezil hydrochloride noticeably improves cognitive function in patients with vascular dementia,and exerts neuroprotective effects against vascular dementia.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11147158 and 11264020the Jiangxi Province Natural Science Foundation under Grant No 2010GQW0031the Jiangxi Province Scientific Research Program of the Education Bureau under Grant No GJJ12483
文摘The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD （T） method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect.
基金Project supported by the National Natural Science Foundation of China(Grand Nos.11147158 and 11264020)the Natural Science Foundation of Jiangxi Province,China(Grand No.2010GQW0031)the Scientific Research Program of the Education Bureau of Jiangxi Province,China(Grand No.GJJ12483)
文摘Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other physical properties parameters are obtained. On the basis of setting appropriate parameters, scanning single point energies are obtained by the same method and the potential energy curves under different external fields are also obtained. These results show that the physical property parameters and potential energy curves may change with external electric field, especially in the case of reverse direction electric field. The potential energy function without external electric field is fitted by Morse potential, and the fitting parameters are obtained which are in good agreement with experimental values. In order to obtain the critical dissociation electric parameter, the dipole approximation is adopted to construct a potential model fitting the corresponding potential energy curve of the external electric field. It is found that the fitted critical dissociation electric parameter is consistent with numerical calculation, so that the constructed model is reliable and accurate. These results will provide important theoretical and experimental reference for further studying the molecular spectrum, dynamics, and molecular cooling with Stark effect.
基金support by the Saudi Center for Theoretical Physics (SCTP) during the progress of this work
文摘In a recent reformulation of quantum mechanics, the properties of the physical system are derived from orthogonal polynomials that make up the expansion coefficients of the wavefunction in a complete set of square integrable basis. Here, we show how to reconstruct the potential function so that a correspondence with the standard formulation could be established. However, the correspondence places restriction on the kinematics of such problems.
基金Project supported by the National Natural Science Foundation of China （Grant No 10574039）, the Henan Innovation for University Prominent Research Talents （Grant No 2006KYCX002） and the National Natural Science Foundation of Education Bureau of Henan Province, China （Grant No 2007140015）. We heartily thank Professor Zhu Zheng-Hem of Sichuan University for his helpful discussion about the reasonable dissociation stages of these calculations limits during the planning
文摘The comparison between single-point energy scanning （SPES） and geometry optimization （OPT） in determining the equilibrium geometries of c^3∑g^＋ and B^1-Пu states of dimer 7Li2 is made at numerous basis sets by using a symmetryadapted-cluster configuration-interaztion （SAC-CI） method in the Gaussian 03 program package. In this paper the difference of the equilibrium geometries obtained by SPES and by OPT is reported. The results obtained by SPES are found to be more reasonable than those obtained by OPT in full active space at the present SAC-CI level of theory. And the conclusion is attained that the cc-PVTZ is a most suitable basis set for these states. The calculated dissociation energies and equilibrium geometries are 0.8818 eV and 0.3090 nm for c^3∑g^＋ state, and 0.3668 eV and 0.2932 nm for B^1-Пu state respectively. The potential energy curves are calculated over a wide internuclear distance range from about 2.5α0 to 37α0 and have a least-squares fit into the Murrell-Sorbie function. According to the calculated analytic potential energy functions, the harmonic frequencies （We） and other spectroscopic data （ωeXe, Be and αe） are calculated. Comparison of the theoretical determinations at present work with the experiments and other theories clearly shows that the present work is the most complete effort and thus represents an improvement over previous theoretical results.
