In this study,a straightforward one-step hydrothermal method was successfully utilized to synthesize the solid solution Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)(NNMTO-x),where x denotes the molar perce...In this study,a straightforward one-step hydrothermal method was successfully utilized to synthesize the solid solution Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)(NNMTO-x),where x denotes the molar percentage of Na_(2)Ni_(2)Ti_(6)O_(16)(NNTO)within Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)(NMTO),with x values of 10,20,30,40,and 50.Both XPS(X-ray Photoelectron Spectroscopy)and EDX(Energy Dispersive X-ray Spectroscopy)analyses unequivocally validated the formation of the NNMTO-x solid solutions.It was observed that when x is below 40,the NNMTO-x solid solution retains the structural characteristics of the original NMTO.However,beyond this threshold,significant alterations in crystal morphology were noted,accompanied by a noticeable decline in photocatalytic activity.Notably,the absorption edge of NNMTO-x(x<40)exhibited a shift towards the visible-light spectrum,thereby substantially broadening the absorption range.The findings highlight that NNMTO-30 possesses the most pronounced photocatalytic activity for the reduction of CO_(2).Specifically,after a 6 h irradiation period,the production rates of CO and CH_(4)were recorded at 42.38 and 1.47μmol/g,respectively.This investigation provides pivotal insights that are instrumental in the advancement of highly efficient and stable photocatalysts tailored for CO_(2)reduction processes.展开更多
Control over charge transport in molecular–scale devices requires a deep understanding of how minute structural changes influence electronic properties.Here,we demonstrate dual transport regimes in tunnel junctions o...Control over charge transport in molecular–scale devices requires a deep understanding of how minute structural changes influence electronic properties.Here,we demonstrate dual transport regimes in tunnel junctions of n-alk-1-yne(CnA)molecules with gold electrodes driven by conformational bifurcation—the emergence of two nearly isoenergetic(planar and skewed)molecular conformers(dihedral anglesα=180°andα≈65°at the alkyne terminus in the gas phase).Although the energy differences are small,these subtle conformational differences manifest as distinct transport behaviors,uncovered through unsupervised machine learning,which identified two junction groups:“short”and“long”chains,with distinct attenuation factors(β_(short)≈1.0 vs.β_(long)≈0.74)and contact conductances(G_(c,short)≈200μS vs.G_(c,long)≈8μS).This dramatic impact of the dihedral angle exceeds the impact of the inter-ring twist angle in biphenyl-based junctions and rivals changes induced by switching from gold to platinum electrodes or from monothiol to dithiol anchors in oligoacene and oligophenylene junctions.X-ray photoelectron spectroscopy(XPS)confirmed this bifurcation,linking the“short”and“long”groups to planar and skewed conformers,with dihedrals remarkably agreeing with the gas-phase values.This work establishes conformational bifurcation as a promising route for designing programmable nanotransport properties through anchor-group control.展开更多
Let A be a 3×3 singular or diagonalizable matrix,all solutions to the Yang-Baxter-like matrix equation have been determined.However,finding all solutions for full rank,non-diagonalizable matrices remains challeng...Let A be a 3×3 singular or diagonalizable matrix,all solutions to the Yang-Baxter-like matrix equation have been determined.However,finding all solutions for full rank,non-diagonalizable matrices remains challenging.By utilizing classification techniques,we establish all solutions of the Yang-Baxter-like matrix equation in this paper when the coefficient matrix A is similar to non-diagonalizable matrix diag(λ,J_(2)(λ))withλ̸=0.More specifically,we divide the non-diagonal elements of the solution into 10 different cases.By discussing each situation,we establish all solutions of the Yang-Baxter-like matrix equation.The results of this work enrich the existing ones.展开更多
This paper is concerned with an initial boundary value problem for the planar magnetohydrodynamic compressible flow with temperature dependent heat conductivity in a half-line.In particular,the transverse magnetic fie...This paper is concerned with an initial boundary value problem for the planar magnetohydrodynamic compressible flow with temperature dependent heat conductivity in a half-line.In particular,the transverse magnetic field is assumed to satisfy the Neumann boundary condition,which was first investigated by Kazhikhov in 1987.We establish the global existence of the unique strong solutions to the MHD equations without any smallness conditions on the initial data.More precisely,our result can be regarded as a natural generalization of Kazhikov’s result for applying the constant heat-conductivity in bounded domains to the degenerate case in unbounded domains.展开更多
In this article,we show the existence,uniqueness and stability of bounded solutions to the following quasilinear problems with mean curvature operator(φ'(x′(t)))′=f(t,x),t≥t_(0),lim_(t→∞)x(t)=ψ_(0),lim_(t→...In this article,we show the existence,uniqueness and stability of bounded solutions to the following quasilinear problems with mean curvature operator(φ'(x′(t)))′=f(t,x),t≥t_(0),lim_(t→∞)x(t)=ψ_(0),lim_(t→∞)x′(t)e^(t)=0,where t_(0) and ψ_(0) are real constants,φ(s)=s/√1−s^(2),s∈R with s∈(−1,1),f:[t_(0),∞)×R→R satisfies the Lipschitz or Osgood-type conditions.展开更多
Circumlunar abort trajectories constitute a vital contingency return strategy during the translunar phase of crewed lunar missions.This paper proposes a methodology for constructing the solution set of the circumlunar...Circumlunar abort trajectories constitute a vital contingency return strategy during the translunar phase of crewed lunar missions.This paper proposes a methodology for constructing the solution set of the circumlunar abort trajectory and leverages its advantageous properties to address the optimization design problem of abort trajectories.Initially,a solution set of all feasible abort trajectories,originating from an abort point on the nominal trajectory and complying with fundamental reentry constraints,is formulated through the introduction of two novel design parameters.Subsequently,the geometric characteristics of the solution set,as well as the distributional properties of key iterative constraint responses,including flight time and velocity increment,are analyzed.Finally,the characteristics exhibited in the solution set are employed to directly identify the design parameters of the abort trajectories with minimum flight time and velocity increment,thereby providing solutions to two distinct types of optimization problems.The simulation results for a variety of nominal trajectories,encompassing the reconstruction and redesign of the Apollo13 abort trajectory,validate the proposed method,demonstrating its ability to directly generate optimal abort trajectories.The method proposed in this paper investigates feasible abort trajectories from a global perspective,providing both a framework and convenience for mission planning and iterative optimization in abort trajectory design.展开更多
Strong seismic excitation and fault dislocation are likely to occur simultaneously in high-intensity seismic zones,causing severe damage to tunnels crossing active fault zones.This paper aims to develop a novel analyt...Strong seismic excitation and fault dislocation are likely to occur simultaneously in high-intensity seismic zones,causing severe damage to tunnels crossing active fault zones.This paper aims to develop a novel analytical solution to determine the longitudinal mechanical responses of tunnels subjected to the combined effects of seismic waves and strike-slip faulting.Adopting the elastic springbeam model,the seismic waves are modelled as shear horizontal(SH)waves and the fault dislocation follows an S-shaped pattern;the superposition principle for free-fielddisplacements caused by both effects is assumed.In addition,the transmission and reflectionof seismic waves at the fault-rock geological interface and the tangential contact conditions at the tunnel-rock interface are considered.The analytical model is validated against numerical simulations,confirmingits accuracy in calculating tunnel responses.Moreover,a parametric study is conducted to evaluate the impact of key factors,including fault displacement,fault zone width,fault dip angle,earthquake frequency,rock conditions,tunnel lining stiffness,and tangential contact conditions,on tunnel responses.Compared with each effect alone,the combined effects of seismic waves and strike-slip faulting significantlychange the tunnel deformation and internal forces,leading to increased tunnel responses,especially within the fault zone and near the fault-rock interfaces.Depending on specificparameters,tunnel responses can be classifiedinto seismic-dominated,faulting-dominated,and seismic-faulting coupled responses on the basis of the relative contributions of each effect.The proposed analytical solution can be applied to quickly predict the longitudinal mechanical behaviour of tunnels under such combined effects in engineering applications.展开更多
Substrate and nutrient supply are essential for vegetable cultivation in greenhouse.The strategies for plant nutrient supply vary depending on the cultivation methods or substrate dosages employed.With the development...Substrate and nutrient supply are essential for vegetable cultivation in greenhouse.The strategies for plant nutrient supply vary depending on the cultivation methods or substrate dosages employed.With the development of mechanization,wide-row spacing substrate cultivation became an optimize mode of the greenhouse cucumber cultivation,aligning with the trend of intelligent agriculture.To determine the optimal nutrient solution supply amount(NS)and supply frequency(SF)for promoting the integrated growth of cucumber under wide-row spacing substrate cultivation,we explored the effects of substrate supply amount(SS),NS,and SF on cucumber yield,quality,and element utilization efficiency.A five-level quadratic orthogonal rotation combination design with three experimental factors(NS,SF,and SS)was implemented for 23 coupling treatments over three growing seasons,including spring(2022S and 2023S)and autumn(2022A).The technique for order preference by similarity to ideal solution(TOPSIS)combining weights based on game theory was applied to construct cucumber comprehensive growth evaluation model.Single and two experimental factors analyses revealed significant effects of single factors and the coupling of NS-SS,NS-SF and SS-SF on the integrated growth of cucumber for all three growing seasons.For the NS-SF-SS combination,the optimal parameters for comprehensive cucumber growth were determined as follows:levels of^(-1).68 for NS,-0.7 for SF,and^(-1).682 for SS in 2022A;-0.43 for NS,-0.06 for SF,and 0.34 for SS in 2022S;0.3 for NS,-0.02 for SF,and 0.04 for SS in 2023S.Furthermore,for SS ranges of 2.00-3.01,3.01-4.50,4.50-5.99,5.99-7.00(L·plant^(-1)),the corresponding NS and SF intervals maximizing cucumber integrated growth in spring were:0.28-0.30(L·plant^(-1))and 6(times·d^(-1)),0.26-0.30(L·plant^(-1))and 6(times·d^(-1)),0.25-0.30(L·plant^(-1))and 6(times·d^(-1)),0.23-0.30(L·plant^(-1))and 6(times·d^(-1)),respectively.With the same SS,the corresponding NS and SF intervals that maximized cucumber integrated growth in autumn were:0.10(L·plant^(-1))and 8(times·d^(-1)),0.18(L·plant^(-1))and 7(times·d^(-1)),0.30(L·plant^(-1))and 6(times·d^(-1)),0.49(L·plant^(-1))and 5(times·d^(-1)),respectively.The results provide a theoretical basis for solution management,and further in-depth research on cucumber cultivation.展开更多
This study reported the synthesis of magnetic solid solutions V2(A_(x)B_(y)Sn_(1-x-y))C(where A and B are Mn,Fe,or Co)MAX phases.These materials were prepared by incorporating magnetic elements into the V_(2)SnC MAX p...This study reported the synthesis of magnetic solid solutions V2(A_(x)B_(y)Sn_(1-x-y))C(where A and B are Mn,Fe,or Co)MAX phases.These materials were prepared by incorporating magnetic elements into the V_(2)SnC MAX phase via pressure-less sintering at 1000℃for 3 hours.XRD analysis reveals that the composition with x=y=0.2 exhibits a shift of diffraction peaks to higher angles,indicating lattice parameter changes,and achieves the highest phase purity with the maximum solid solution limit,further increases in the dopant content led to the formation of impurities.While the solid solution of magnetic elements preserves the characteristic layered structure of the MAX phase,it successfully induces magnetic properties.The magnetic transition temperatures for these solid solutions ranges from 61 to 200 K.Specifically,V_(2)(Mn_(x)Co_(y)Sn_(1-x-y))C demonstrated hard magnetic characteristics,with a high saturation magnetization(6.536 emu/g)and large remanence(4.236 emu/g).In contrast,V_(2)(Mn_(x)Fe_(y)Sn_(1-x-y))C and V2(Fe_(x)Co_(y)Sn_(1-x-y))C exhibits soft magnetic behavior,evidenced by their narrow hysteresis loops and low coercivity.Their saturation magnetization values are 3.80 and 1.784 emu/g,respectively.The distinctly"S"-shaped hysteresis loop of V_(2)(Fe_(x)Co_(y)Sn_(1-x-y))C further confirms its soft magnetic nature.展开更多
Doping in thin-film transistors(TFTs) plays a crucial role in tailoring material properties to enhance device performance, making them essential for advanced electronic applications. This study explores the synthesis ...Doping in thin-film transistors(TFTs) plays a crucial role in tailoring material properties to enhance device performance, making them essential for advanced electronic applications. This study explores the synthesis and characterization of TFTs fabricated using nickel(Ni)-doped indium oxide(In_(2)O_(3)) via a wet-chemical approach. The presented work investigates the effect of "Ni" incorporation in In_(2)O_(3) on the structural and electrical transport properties of In_(2)O_(3), revealing that higher "Ni" content decreases the oxygen vacancies, leading to a reduction in leakage current and a forward shift in threshold potential(V_(th)).Experimental findings reveal that Ni In O-based TFTs(with Ni = 0.5%) showcase enhanced electrical performance, achieving mobility of 7.54 cm^(2)/(V·s), an impressive ON/OFF current ratio of ~10^(7), a V_(th) of 6.26 V, reduced interfacial trap states(D_(it)) of 8.23 ×10^(12) cm^(-2) and enhanced biased stress stability. The efficacy of "Ni" incorporation is attributed to the upgraded Lewis acidity, stable Ni-O bond strength, and small ionic radius of Ni. Negative bias illumination stability(NBIS) measurements further indicate that device stability diminishes with shorter light wavelengths, likely due to the activation of oxygen vacancies. These findings validate the solution-processed techniques' potential for future large-scale, low-cost, energy-efficient, and high-performance electronics.展开更多
The 15th Five-Year Plan will begin in 2026,amid heightened global technological competition and rapid supply chain changes.At this pivotal moment,the low-altitude economy and commercial aerospace,once seen as futurist...The 15th Five-Year Plan will begin in 2026,amid heightened global technological competition and rapid supply chain changes.At this pivotal moment,the low-altitude economy and commercial aerospace,once seen as futuristic,are quickly transitioning from strategic concepts to large-scale manufacturing industries.These sectors now drive China’s high-quality development and support a new framework for international engagement.展开更多
In-situ stress is a key parameter for underground mine design and rock stability analysis.The borehole overcoring technique is widely used for in-situ stress measurement,but the rheological recovery deformation of roc...In-situ stress is a key parameter for underground mine design and rock stability analysis.The borehole overcoring technique is widely used for in-situ stress measurement,but the rheological recovery deformation of rocks after stress relief introduces errors.To improve accuracy,this study proposes an in-situ stress solution theory that incorporates time-dependent stress relief effects.Triaxial stepwise loadingunloading rheological tests on granite and siltstone established quantitative relationships between instantaneous elastic recovery and viscoelastic recovery under different stress levels,confirming their impact on measurement accuracy.By integrating a dual-class elastic deformation recovery model,an improved in-situ stress solution theory was derived.Additionally,accounting for the nonlinear characteristics of rock masses,a determination method for time-dependent nonlinear mechanical parameters was proposed.Based on the CSIRO hollow inclusion strain cell,time-dependent strain correction equations and long-term confining pressure calibration equations were formulated.Finally,the proposed theory was successfully applied at one iron mine(736 m depth)in Xinjiang,China,and one coal mine(510 m depth)in Ningxia,China.Compared to classical theory,the calculated mean stress values showed accuracy improvements of 6.0%and 9.4%,respectively,validating the applicability and reliability of the proposed theory.展开更多
Star-shaped six-arm polymers with hexaaza[2_(6)]orthoparacyclophane core and arms of block copolymers of poly-2-ethyl-5,6-dihydrooxazine with poly-2-isopropyl-5,6-dihydrooxazine were synthesized successfully using cat...Star-shaped six-arm polymers with hexaaza[2_(6)]orthoparacyclophane core and arms of block copolymers of poly-2-ethyl-5,6-dihydrooxazine with poly-2-isopropyl-5,6-dihydrooxazine were synthesized successfully using cationic ring-opening polymerization.The ratio of blocks,the order of their attachment to the core,and arm length were varied.Conformation of synthesized stars was determined by methods of molecular hydrodynamics and optics.It has been shown that star-shaped molecules were characterized by high intramolecular density,and the arm folding increased with their lengthening.The influence of the structure of block copolymers and their molar mass on the critical micelle concentration has been established.Complexes of synthesized star-shaped block copolymers with curcumin were obtained and the efficient binding of curcumin to polymer molecules was demonstrated.The behavior of the aqueous solutions of the prepared polymer stars and their complexes with curcumin was investigated by light scattering and turbidimetry methods.The influence of the structure and molar mass of star polymers on their thermoresponsiveness and the phase separation temperatures in aqueous solutions was analyzed.A slight increase in the phase separation temperature was found on passage from polymer solutions to solutions of polymer complexes with hydrophobic curcumin.展开更多
Titanium plates with a Ti−O solid solution surface-hardened layer were cold roll-bonded with 304 stainless steel plates with high work hardening rates.The evolution and mechanisms affecting the interfacial bonding str...Titanium plates with a Ti−O solid solution surface-hardened layer were cold roll-bonded with 304 stainless steel plates with high work hardening rates.The evolution and mechanisms affecting the interfacial bonding strength in titanium/stainless steel laminated composites were investigated.Results indicate that the hardened layer reduces the interfacial bonding strength from over 261 MPa to less than 204 MPa.During the cold roll-bonding process,the hardened layer fractures,leading to the formation of multi-scale cracks that are difficult for the stainless steel to fill.This not only hinders the development of an interlocking interface but also leads to the presence of numerous microcracks and hardened blocks along the nearly straight interface,consequently weakening the interfacial bonding strength.In metals with high work hardening rates,the conventional approach of enhancing interface interlocking and improving interfacial bonding strength by using a surface-hardened layer becomes less effective.展开更多
All-atom molecular simulations and two-dimensional nuclear overhauser effect spectrum have been used to study the conformations of carnosine in aqueous solution. Intramolecular distances, root-mean-square deviation, r...All-atom molecular simulations and two-dimensional nuclear overhauser effect spectrum have been used to study the conformations of carnosine in aqueous solution. Intramolecular distances, root-mean-square deviation, radius of gyration, and solvent-accessible surface are used to characterize the properties of the carnosine. Carnosine can shift between extended and folded states, but exists mostly in extended state in water. Its preference for extension in pure water has been proven by the 2D nuclear magnetic resonance （NMR） experiment. The NMR experimental results are consistent with the molecular dynamics simulations.展开更多
The conformation of mono-6-O-p-nitrobenzoyl-β-cyclodextrin was studied with B3LYP/6-311g**//PM3 calculations in vacuum and in water solution. It was concluded that the p-nitrobenzoyl group of the molecule should be ...The conformation of mono-6-O-p-nitrobenzoyl-β-cyclodextrin was studied with B3LYP/6-311g**//PM3 calculations in vacuum and in water solution. It was concluded that the p-nitrobenzoyl group of the molecule should be located above the primary hydroxyls of the cyclodextrin instead of being completely enclosed by the cavity. It was proposed that the behavior might be caused by the requirement of a cis ester bond in the self-included conformation of the molecule.展开更多
The conformations ofγ-butyrolactone ring in solution were deduced on the basis of ~1H NMR spectra of geminal protons of the butyrolactone ring.A series of optically pure(Z)-(-)-4-(1 -alkoxyl-1 -carbalkoxy-methylene)-...The conformations ofγ-butyrolactone ring in solution were deduced on the basis of ~1H NMR spectra of geminal protons of the butyrolactone ring.A series of optically pure(Z)-(-)-4-(1 -alkoxyl-1 -carbalkoxy-methylene)-5(R)[(1R)-menthyloxy]-γ-butyr-olactones with a stable planar conformation of γ-butyrolactone ring were found.展开更多
The heavy lanthanide ions(Dy,Ho,Er,Tm and Yb)were used to probe the conformation of L-arginine in aqueous solution.The results showed that the contact contribution to the observed^(13)C paramagnetic shift is very smal...The heavy lanthanide ions(Dy,Ho,Er,Tm and Yb)were used to probe the conformation of L-arginine in aqueous solution.The results showed that the contact contribution to the observed^(13)C paramagnetic shift is very small for nuclei four or more bonds away from the bound lanthanide ion and it is significant for those in close proximity to the lanthanide ion.The overall conformation of L-arginine was established by fitting the calculated geometric factors for the corresponding experimental data.In the lanthanide-L-arginine complex,the whole backbone of the ligand is located outsite the zero-dipolar shift cone of the lanthanide ion with the carboxyl group selectively coordinated to the metal.The calculated RE-O distance is 0.21 nm for the bidentate coordination mode and the ligand is in an extended conformation in the solution with the molecular backbone corresponding to the trans form.展开更多
We study the properties of the ethylene glycol solutions and the conformational transitions of DNA segment in the ethylene glycol solutions by molecular dynamics simulations based on GROMACS. The hydrogen network stru...We study the properties of the ethylene glycol solutions and the conformational transitions of DNA segment in the ethylene glycol solutions by molecular dynamics simulations based on GROMACS. The hydrogen network structures of water–water and ethylene glycol–water are reinforced by ethylene glycol molecules when the concentrations of the solutions increase from 0% to 80%. As illustrated by the results, conformation of the double-stranded DNA in ethylene glycol solutions, although more compact, is similar to the structure of DNA in the aqueous solutions. In contrast, the DNA structure is an A–B hybrid state in the ethanol/water mixed solution. A fraying of terminal base-pairs is observed for the terminal cytosine. The ethylene glycol molecules preferentially form a ring structure around the phosphate groups to influence DNA conformation by hydrogen interactions, while water molecules tend to reside in the grooves. The repulsion between the negatively charged phosphate groups is screened by ethylene glycol molecules, preventing the repulsion from unwinding and extending the helix and thus making the conformation of DNA more compact.展开更多
The conformation and dimension of SPU polyanion have been studied by viscosity and quasi-elastic light scattering methods. The rigidity of SPU is somewhat similar to CMC and its hydrodynamic radius decreases only slow...The conformation and dimension of SPU polyanion have been studied by viscosity and quasi-elastic light scattering methods. The rigidity of SPU is somewhat similar to CMC and its hydrodynamic radius decreases only slowly with increasing concentration of NaCl.展开更多
基金Supported by the Doctoral Research Start-up Project of Yuncheng University(YQ-2023067)Project of Shanxi Natural Science Foundation(202303021211189)+1 种基金Fund Program for the Scientific Activities of Selected Returned Overseas Professionals in Shanxi Provinces(20220036)Shanxi ProvinceIntelligent Optoelectronic Sensing Application Technology Innovation Center and Shanxi Province Optoelectronic Information Science and TechnologyLaboratory,Yuncheng University.
文摘In this study,a straightforward one-step hydrothermal method was successfully utilized to synthesize the solid solution Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)(NNMTO-x),where x denotes the molar percentage of Na_(2)Ni_(2)Ti_(6)O_(16)(NNTO)within Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)(NMTO),with x values of 10,20,30,40,and 50.Both XPS(X-ray Photoelectron Spectroscopy)and EDX(Energy Dispersive X-ray Spectroscopy)analyses unequivocally validated the formation of the NNMTO-x solid solutions.It was observed that when x is below 40,the NNMTO-x solid solution retains the structural characteristics of the original NMTO.However,beyond this threshold,significant alterations in crystal morphology were noted,accompanied by a noticeable decline in photocatalytic activity.Notably,the absorption edge of NNMTO-x(x<40)exhibited a shift towards the visible-light spectrum,thereby substantially broadening the absorption range.The findings highlight that NNMTO-30 possesses the most pronounced photocatalytic activity for the reduction of CO_(2).Specifically,after a 6 h irradiation period,the production rates of CO and CH_(4)were recorded at 42.38 and 1.47μmol/g,respectively.This investigation provides pivotal insights that are instrumental in the advancement of highly efficient and stable photocatalysts tailored for CO_(2)reduction processes.
基金financial support from the National Key R&D Program of China(2023YFA1407100)the National Natural Science Foundation of China(22373026)+1 种基金Guangdong Science and Technology Department(2021B0301030005,STKJ2023072,GDZX2304005,GDZX2504001,and 2021QN02X538)Ioan Bâldea gratefully acknowledges computational support by the state of Baden-Württemberg through bwHPC and the German Research Foundation through Grant Nos.INST 40/575-1,35/1597-1,and 35/1134-1(JUSTUS 2,bwUniCluster 2/3,and bwForCluster/MLS&WISO/HELIX 2).
文摘Control over charge transport in molecular–scale devices requires a deep understanding of how minute structural changes influence electronic properties.Here,we demonstrate dual transport regimes in tunnel junctions of n-alk-1-yne(CnA)molecules with gold electrodes driven by conformational bifurcation—the emergence of two nearly isoenergetic(planar and skewed)molecular conformers(dihedral anglesα=180°andα≈65°at the alkyne terminus in the gas phase).Although the energy differences are small,these subtle conformational differences manifest as distinct transport behaviors,uncovered through unsupervised machine learning,which identified two junction groups:“short”and“long”chains,with distinct attenuation factors(β_(short)≈1.0 vs.β_(long)≈0.74)and contact conductances(G_(c,short)≈200μS vs.G_(c,long)≈8μS).This dramatic impact of the dihedral angle exceeds the impact of the inter-ring twist angle in biphenyl-based junctions and rivals changes induced by switching from gold to platinum electrodes or from monothiol to dithiol anchors in oligoacene and oligophenylene junctions.X-ray photoelectron spectroscopy(XPS)confirmed this bifurcation,linking the“short”and“long”groups to planar and skewed conformers,with dihedrals remarkably agreeing with the gas-phase values.This work establishes conformational bifurcation as a promising route for designing programmable nanotransport properties through anchor-group control.
基金Supported by National Natural Science Foundation of China(Grant No.62173161).
文摘Let A be a 3×3 singular or diagonalizable matrix,all solutions to the Yang-Baxter-like matrix equation have been determined.However,finding all solutions for full rank,non-diagonalizable matrices remains challenging.By utilizing classification techniques,we establish all solutions of the Yang-Baxter-like matrix equation in this paper when the coefficient matrix A is similar to non-diagonalizable matrix diag(λ,J_(2)(λ))withλ̸=0.More specifically,we divide the non-diagonal elements of the solution into 10 different cases.By discussing each situation,we establish all solutions of the Yang-Baxter-like matrix equation.The results of this work enrich the existing ones.
基金supported by the National Natural Science Foundation of China(12401279,12371219)the Academic and Technical Leaders Training Plan of Jiangxi Province(20212BCJ23027).
文摘This paper is concerned with an initial boundary value problem for the planar magnetohydrodynamic compressible flow with temperature dependent heat conductivity in a half-line.In particular,the transverse magnetic field is assumed to satisfy the Neumann boundary condition,which was first investigated by Kazhikhov in 1987.We establish the global existence of the unique strong solutions to the MHD equations without any smallness conditions on the initial data.More precisely,our result can be regarded as a natural generalization of Kazhikov’s result for applying the constant heat-conductivity in bounded domains to the degenerate case in unbounded domains.
基金Supported by the National Natural Science Foundation of China(Grant Nos.12361040,12061064)the National Science Foundation of Gansu Province(Grant No.22JR5RA264)State Scholarship Fund(Grant No.20230862021).
文摘In this article,we show the existence,uniqueness and stability of bounded solutions to the following quasilinear problems with mean curvature operator(φ'(x′(t)))′=f(t,x),t≥t_(0),lim_(t→∞)x(t)=ψ_(0),lim_(t→∞)x′(t)e^(t)=0,where t_(0) and ψ_(0) are real constants,φ(s)=s/√1−s^(2),s∈R with s∈(−1,1),f:[t_(0),∞)×R→R satisfies the Lipschitz or Osgood-type conditions.
文摘Circumlunar abort trajectories constitute a vital contingency return strategy during the translunar phase of crewed lunar missions.This paper proposes a methodology for constructing the solution set of the circumlunar abort trajectory and leverages its advantageous properties to address the optimization design problem of abort trajectories.Initially,a solution set of all feasible abort trajectories,originating from an abort point on the nominal trajectory and complying with fundamental reentry constraints,is formulated through the introduction of two novel design parameters.Subsequently,the geometric characteristics of the solution set,as well as the distributional properties of key iterative constraint responses,including flight time and velocity increment,are analyzed.Finally,the characteristics exhibited in the solution set are employed to directly identify the design parameters of the abort trajectories with minimum flight time and velocity increment,thereby providing solutions to two distinct types of optimization problems.The simulation results for a variety of nominal trajectories,encompassing the reconstruction and redesign of the Apollo13 abort trajectory,validate the proposed method,demonstrating its ability to directly generate optimal abort trajectories.The method proposed in this paper investigates feasible abort trajectories from a global perspective,providing both a framework and convenience for mission planning and iterative optimization in abort trajectory design.
基金supported by the National Natural Science Foundation of China(No.41941018)Shanghai Gaofeng Discipline Construction Funding.
文摘Strong seismic excitation and fault dislocation are likely to occur simultaneously in high-intensity seismic zones,causing severe damage to tunnels crossing active fault zones.This paper aims to develop a novel analytical solution to determine the longitudinal mechanical responses of tunnels subjected to the combined effects of seismic waves and strike-slip faulting.Adopting the elastic springbeam model,the seismic waves are modelled as shear horizontal(SH)waves and the fault dislocation follows an S-shaped pattern;the superposition principle for free-fielddisplacements caused by both effects is assumed.In addition,the transmission and reflectionof seismic waves at the fault-rock geological interface and the tangential contact conditions at the tunnel-rock interface are considered.The analytical model is validated against numerical simulations,confirmingits accuracy in calculating tunnel responses.Moreover,a parametric study is conducted to evaluate the impact of key factors,including fault displacement,fault zone width,fault dip angle,earthquake frequency,rock conditions,tunnel lining stiffness,and tangential contact conditions,on tunnel responses.Compared with each effect alone,the combined effects of seismic waves and strike-slip faulting significantlychange the tunnel deformation and internal forces,leading to increased tunnel responses,especially within the fault zone and near the fault-rock interfaces.Depending on specificparameters,tunnel responses can be classifiedinto seismic-dominated,faulting-dominated,and seismic-faulting coupled responses on the basis of the relative contributions of each effect.The proposed analytical solution can be applied to quickly predict the longitudinal mechanical behaviour of tunnels under such combined effects in engineering applications.
基金supported by the China Agriculture Research System(Grant No.CARS-23-D06)the Key Research and Development Program of Shaanxi Province(Grant Nos.2024NC2-GJHX-29 and 2024NC-ZDCYL-05-08)Shaanxi Agricultural Collaborative Innovation and Extension Alliance Project(Grant No.LMZD202202).
文摘Substrate and nutrient supply are essential for vegetable cultivation in greenhouse.The strategies for plant nutrient supply vary depending on the cultivation methods or substrate dosages employed.With the development of mechanization,wide-row spacing substrate cultivation became an optimize mode of the greenhouse cucumber cultivation,aligning with the trend of intelligent agriculture.To determine the optimal nutrient solution supply amount(NS)and supply frequency(SF)for promoting the integrated growth of cucumber under wide-row spacing substrate cultivation,we explored the effects of substrate supply amount(SS),NS,and SF on cucumber yield,quality,and element utilization efficiency.A five-level quadratic orthogonal rotation combination design with three experimental factors(NS,SF,and SS)was implemented for 23 coupling treatments over three growing seasons,including spring(2022S and 2023S)and autumn(2022A).The technique for order preference by similarity to ideal solution(TOPSIS)combining weights based on game theory was applied to construct cucumber comprehensive growth evaluation model.Single and two experimental factors analyses revealed significant effects of single factors and the coupling of NS-SS,NS-SF and SS-SF on the integrated growth of cucumber for all three growing seasons.For the NS-SF-SS combination,the optimal parameters for comprehensive cucumber growth were determined as follows:levels of^(-1).68 for NS,-0.7 for SF,and^(-1).682 for SS in 2022A;-0.43 for NS,-0.06 for SF,and 0.34 for SS in 2022S;0.3 for NS,-0.02 for SF,and 0.04 for SS in 2023S.Furthermore,for SS ranges of 2.00-3.01,3.01-4.50,4.50-5.99,5.99-7.00(L·plant^(-1)),the corresponding NS and SF intervals maximizing cucumber integrated growth in spring were:0.28-0.30(L·plant^(-1))and 6(times·d^(-1)),0.26-0.30(L·plant^(-1))and 6(times·d^(-1)),0.25-0.30(L·plant^(-1))and 6(times·d^(-1)),0.23-0.30(L·plant^(-1))and 6(times·d^(-1)),respectively.With the same SS,the corresponding NS and SF intervals that maximized cucumber integrated growth in autumn were:0.10(L·plant^(-1))and 8(times·d^(-1)),0.18(L·plant^(-1))and 7(times·d^(-1)),0.30(L·plant^(-1))and 6(times·d^(-1)),0.49(L·plant^(-1))and 5(times·d^(-1)),respectively.The results provide a theoretical basis for solution management,and further in-depth research on cucumber cultivation.
基金Funded by the National Natural Science Foundation for Young Scholars of China(No.51302073)the Hubei Provincial Key Laboratory of Green Materials for Light Industry,Hubei University of Technology(No.202509B13)。
文摘This study reported the synthesis of magnetic solid solutions V2(A_(x)B_(y)Sn_(1-x-y))C(where A and B are Mn,Fe,or Co)MAX phases.These materials were prepared by incorporating magnetic elements into the V_(2)SnC MAX phase via pressure-less sintering at 1000℃for 3 hours.XRD analysis reveals that the composition with x=y=0.2 exhibits a shift of diffraction peaks to higher angles,indicating lattice parameter changes,and achieves the highest phase purity with the maximum solid solution limit,further increases in the dopant content led to the formation of impurities.While the solid solution of magnetic elements preserves the characteristic layered structure of the MAX phase,it successfully induces magnetic properties.The magnetic transition temperatures for these solid solutions ranges from 61 to 200 K.Specifically,V_(2)(Mn_(x)Co_(y)Sn_(1-x-y))C demonstrated hard magnetic characteristics,with a high saturation magnetization(6.536 emu/g)and large remanence(4.236 emu/g).In contrast,V_(2)(Mn_(x)Fe_(y)Sn_(1-x-y))C and V2(Fe_(x)Co_(y)Sn_(1-x-y))C exhibits soft magnetic behavior,evidenced by their narrow hysteresis loops and low coercivity.Their saturation magnetization values are 3.80 and 1.784 emu/g,respectively.The distinctly"S"-shaped hysteresis loop of V_(2)(Fe_(x)Co_(y)Sn_(1-x-y))C further confirms its soft magnetic nature.
基金funded by the research startup funding of National Research Foundation (NRF) of Korea through the Ministry of Science and ICT 2022R1G1A1009887Part of this study was supported by research start-up funding of Anhui University (S202418001/078)。
文摘Doping in thin-film transistors(TFTs) plays a crucial role in tailoring material properties to enhance device performance, making them essential for advanced electronic applications. This study explores the synthesis and characterization of TFTs fabricated using nickel(Ni)-doped indium oxide(In_(2)O_(3)) via a wet-chemical approach. The presented work investigates the effect of "Ni" incorporation in In_(2)O_(3) on the structural and electrical transport properties of In_(2)O_(3), revealing that higher "Ni" content decreases the oxygen vacancies, leading to a reduction in leakage current and a forward shift in threshold potential(V_(th)).Experimental findings reveal that Ni In O-based TFTs(with Ni = 0.5%) showcase enhanced electrical performance, achieving mobility of 7.54 cm^(2)/(V·s), an impressive ON/OFF current ratio of ~10^(7), a V_(th) of 6.26 V, reduced interfacial trap states(D_(it)) of 8.23 ×10^(12) cm^(-2) and enhanced biased stress stability. The efficacy of "Ni" incorporation is attributed to the upgraded Lewis acidity, stable Ni-O bond strength, and small ionic radius of Ni. Negative bias illumination stability(NBIS) measurements further indicate that device stability diminishes with shorter light wavelengths, likely due to the activation of oxygen vacancies. These findings validate the solution-processed techniques' potential for future large-scale, low-cost, energy-efficient, and high-performance electronics.
文摘The 15th Five-Year Plan will begin in 2026,amid heightened global technological competition and rapid supply chain changes.At this pivotal moment,the low-altitude economy and commercial aerospace,once seen as futuristic,are quickly transitioning from strategic concepts to large-scale manufacturing industries.These sectors now drive China’s high-quality development and support a new framework for international engagement.
基金supported by the National Science and Technology Major Project of the Ministry of Science and Technology of China(No.2024ZD1700201)the National Natural Science Foundation of China(Nos.U2034206,51974014 and 51574014)+1 种基金the Guangdong Basic and Applied Basic Research Foundation(No.2024A1515011631)the National Key Research and Development Project of China(No.2022YFC3004601)。
文摘In-situ stress is a key parameter for underground mine design and rock stability analysis.The borehole overcoring technique is widely used for in-situ stress measurement,but the rheological recovery deformation of rocks after stress relief introduces errors.To improve accuracy,this study proposes an in-situ stress solution theory that incorporates time-dependent stress relief effects.Triaxial stepwise loadingunloading rheological tests on granite and siltstone established quantitative relationships between instantaneous elastic recovery and viscoelastic recovery under different stress levels,confirming their impact on measurement accuracy.By integrating a dual-class elastic deformation recovery model,an improved in-situ stress solution theory was derived.Additionally,accounting for the nonlinear characteristics of rock masses,a determination method for time-dependent nonlinear mechanical parameters was proposed.Based on the CSIRO hollow inclusion strain cell,time-dependent strain correction equations and long-term confining pressure calibration equations were formulated.Finally,the proposed theory was successfully applied at one iron mine(736 m depth)in Xinjiang,China,and one coal mine(510 m depth)in Ningxia,China.Compared to classical theory,the calculated mean stress values showed accuracy improvements of 6.0%and 9.4%,respectively,validating the applicability and reliability of the proposed theory.
基金financially supported by the Russian Science Foundation(No.23-13-00205)。
文摘Star-shaped six-arm polymers with hexaaza[2_(6)]orthoparacyclophane core and arms of block copolymers of poly-2-ethyl-5,6-dihydrooxazine with poly-2-isopropyl-5,6-dihydrooxazine were synthesized successfully using cationic ring-opening polymerization.The ratio of blocks,the order of their attachment to the core,and arm length were varied.Conformation of synthesized stars was determined by methods of molecular hydrodynamics and optics.It has been shown that star-shaped molecules were characterized by high intramolecular density,and the arm folding increased with their lengthening.The influence of the structure of block copolymers and their molar mass on the critical micelle concentration has been established.Complexes of synthesized star-shaped block copolymers with curcumin were obtained and the efficient binding of curcumin to polymer molecules was demonstrated.The behavior of the aqueous solutions of the prepared polymer stars and their complexes with curcumin was investigated by light scattering and turbidimetry methods.The influence of the structure and molar mass of star polymers on their thermoresponsiveness and the phase separation temperatures in aqueous solutions was analyzed.A slight increase in the phase separation temperature was found on passage from polymer solutions to solutions of polymer complexes with hydrophobic curcumin.
基金supported by the National Key R&D Program of China (No. 2018YFA0707300)the National Natural Science Foundation of China (No. 52374376)the Introduction Plan for High end Foreign Experts, China (No. G2023105001L)。
文摘Titanium plates with a Ti−O solid solution surface-hardened layer were cold roll-bonded with 304 stainless steel plates with high work hardening rates.The evolution and mechanisms affecting the interfacial bonding strength in titanium/stainless steel laminated composites were investigated.Results indicate that the hardened layer reduces the interfacial bonding strength from over 261 MPa to less than 204 MPa.During the cold roll-bonding process,the hardened layer fractures,leading to the formation of multi-scale cracks that are difficult for the stainless steel to fill.This not only hinders the development of an interlocking interface but also leads to the presence of numerous microcracks and hardened blocks along the nearly straight interface,consequently weakening the interfacial bonding strength.In metals with high work hardening rates,the conventional approach of enhancing interface interlocking and improving interfacial bonding strength by using a surface-hardened layer becomes less effective.
文摘All-atom molecular simulations and two-dimensional nuclear overhauser effect spectrum have been used to study the conformations of carnosine in aqueous solution. Intramolecular distances, root-mean-square deviation, radius of gyration, and solvent-accessible surface are used to characterize the properties of the carnosine. Carnosine can shift between extended and folded states, but exists mostly in extended state in water. Its preference for extension in pure water has been proven by the 2D nuclear magnetic resonance （NMR） experiment. The NMR experimental results are consistent with the molecular dynamics simulations.
文摘The conformation of mono-6-O-p-nitrobenzoyl-β-cyclodextrin was studied with B3LYP/6-311g**//PM3 calculations in vacuum and in water solution. It was concluded that the p-nitrobenzoyl group of the molecule should be located above the primary hydroxyls of the cyclodextrin instead of being completely enclosed by the cavity. It was proposed that the behavior might be caused by the requirement of a cis ester bond in the self-included conformation of the molecule.
文摘The conformations ofγ-butyrolactone ring in solution were deduced on the basis of ~1H NMR spectra of geminal protons of the butyrolactone ring.A series of optically pure(Z)-(-)-4-(1 -alkoxyl-1 -carbalkoxy-methylene)-5(R)[(1R)-menthyloxy]-γ-butyr-olactones with a stable planar conformation of γ-butyrolactone ring were found.
基金This project was supported by the Natural Science Foundation of China
文摘The heavy lanthanide ions(Dy,Ho,Er,Tm and Yb)were used to probe the conformation of L-arginine in aqueous solution.The results showed that the contact contribution to the observed^(13)C paramagnetic shift is very small for nuclei four or more bonds away from the bound lanthanide ion and it is significant for those in close proximity to the lanthanide ion.The overall conformation of L-arginine was established by fitting the calculated geometric factors for the corresponding experimental data.In the lanthanide-L-arginine complex,the whole backbone of the ligand is located outsite the zero-dipolar shift cone of the lanthanide ion with the carboxyl group selectively coordinated to the metal.The calculated RE-O distance is 0.21 nm for the bidentate coordination mode and the ligand is in an extended conformation in the solution with the molecular backbone corresponding to the trans form.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11635003,11025524,and 11161130520)the National Basic Research Program of China(Grant No.2010CB832903)the European Commissions 7th Framework Programme(FP7-PEOPLE-2010-IRSES)(Grant No.269131)
文摘We study the properties of the ethylene glycol solutions and the conformational transitions of DNA segment in the ethylene glycol solutions by molecular dynamics simulations based on GROMACS. The hydrogen network structures of water–water and ethylene glycol–water are reinforced by ethylene glycol molecules when the concentrations of the solutions increase from 0% to 80%. As illustrated by the results, conformation of the double-stranded DNA in ethylene glycol solutions, although more compact, is similar to the structure of DNA in the aqueous solutions. In contrast, the DNA structure is an A–B hybrid state in the ethanol/water mixed solution. A fraying of terminal base-pairs is observed for the terminal cytosine. The ethylene glycol molecules preferentially form a ring structure around the phosphate groups to influence DNA conformation by hydrogen interactions, while water molecules tend to reside in the grooves. The repulsion between the negatively charged phosphate groups is screened by ethylene glycol molecules, preventing the repulsion from unwinding and extending the helix and thus making the conformation of DNA more compact.
文摘The conformation and dimension of SPU polyanion have been studied by viscosity and quasi-elastic light scattering methods. The rigidity of SPU is somewhat similar to CMC and its hydrodynamic radius decreases only slowly with increasing concentration of NaCl.
