An intense laser pulse focused onto a plasma can excite nonlinear plasma waves.Under appropriate conditions,electrons from the background plasma are trapped in the plasma wave and accelerated to ultra-relativistic vel...An intense laser pulse focused onto a plasma can excite nonlinear plasma waves.Under appropriate conditions,electrons from the background plasma are trapped in the plasma wave and accelerated to ultra-relativistic velocities.This scheme is called a laser wakefield accelerator.In this work,we present results from a laser wakefield acceleration experiment using a petawatt-class laser to excite the wakefields as well as nanoparticles to assist the injection of electrons into the accelerating phase of the wakefields.We find that a 10-cm-long,nanoparticle-assisted laser wakefield accelerator can generate 340 pC,10±1.86 GeV electron bunches with a 3.4 GeV rms convolved energy spread and a 0.9 mrad rms divergence.It can also produce bunches with lower energies in the 4–6 GeV range.展开更多
Solar Wind Charge eXchange X-ray(SWCX) emission in the heliosphere and Ea rth’s exosphere is a hard to avoid signal in soft Xray obse rvations of astrophysical targets.On the other hand,the X-ray imaging possibilitie...Solar Wind Charge eXchange X-ray(SWCX) emission in the heliosphere and Ea rth’s exosphere is a hard to avoid signal in soft Xray obse rvations of astrophysical targets.On the other hand,the X-ray imaging possibilities offered by the SWCX process has led to an increasing number of future dedicated space missions for investigating the solar wind-terrestrial inte ractions and magnetospheric interfaces.In both cases,accurate modelling of the SWCX emission is key to correctly interpret its signal,and remove it from obse rvations,when needed.In this paper,we compile solar wind abundance measurements from ACE for different solar wind types,and atomic data from literature,including charge exchange cross-sections and emission probabilities,used fo r calculating the compound cross-section a for the SWCX X-ray emission.We calculate a values for charge-exchange with H and He,relevant to soft X-ray energy bands(0.1-2.0 keV)for various solar wind types and solar cycle conditions.展开更多
We consider the so-called Thomson problem which refers to finding the equilibrium distribution of a finite number of mutually repelling point charges on the surface of a sphere, but for the case where the sphere is re...We consider the so-called Thomson problem which refers to finding the equilibrium distribution of a finite number of mutually repelling point charges on the surface of a sphere, but for the case where the sphere is replaced by a spheroid or ellipsoid. To get started, we first consider the problem in two dimensions, with point charges on circles (for which the equilibrium distribution is intuitively obvious) and ellipses. We then generalize the approach to the three-dimensional case of an ellipsoid. The method we use is to begin with a random distribution of charges on the surface and allow each point charge to move tangentially to the surface due to the sum of all Coulomb forces it feels from the other charges. Deriving the proper equations of motion requires using a projection operator to project the total force on each point charge onto the tangent plane of the surface. The position vectors then evolve and find their final equilibrium distribution naturally. For the case of ellipses and ellipsoids or spheroids, we find that multiple distinct equilibria are possible for certain numbers of charges, depending on the starting conditions. We characterize these based on their total potential energies. Some of the equilibria found turn out to represent local minima in the potential energy landscape, while others represent the global minimum. We devise a method based on comparing the moment-of-inertia tensors of the final configurations to distinguish them from one another.展开更多
Although the research history of triboelectrification has been more than 2000 years, there are still many problems to be solved so far.The use of scanning probe microscopy provides an important way to quantitatively s...Although the research history of triboelectrification has been more than 2000 years, there are still many problems to be solved so far.The use of scanning probe microscopy provides an important way to quantitatively study the transfer, accumulation, and dissipation of triboelectric charges in the process of triboelectrification. Two-dimensional materials are considered to be key materials for new electronic devices in the post-Moore era due to their atomic-scale size advantages. If the electrostatic field generated by triboelectrification can be used to replace the traditional gate electrostatic field, it is expected to simplify the structure of two-dimensional electronic devices and reconfigure them at any time according to actual needs. Here, we investigate the triboelectrification process of various two-dimensional materials such as MoS_(2), WSe_(2),and ZnO. Different from traditional bulk materials, after two-dimensional materials are rubbed, the triboelectric charges generated may tunnel through the two-dimensional materials to the underlying substrate surface. Because the tunneling triboelectric charge is protected by the twodimensional material, its stable residence time on the substrate surface can reach more than 7 days, which is more than tens of minutes for the traditional triboelectric charge. In addition, the electrostatic field generated by the tunneling triboelectric charge can effectively regulate the carrier transport performance of two-dimensional materials, and the source–drain current of the field effect device regulated by the triboelectric floating gate is increased by nearly 60 times. The triboelectric charge tunneling phenomenon in two-dimensional materials is expected to be applied in the fields of new two-dimensional electronic devices and reconfigurable functional circuits.展开更多
Solar wind charge exchange(SWCX)is the process of solar wind high-valence ions exchanging charges with neutral components and generating soft X-rays.Recently,detecting the SWCX emission from the magnetosphere is propo...Solar wind charge exchange(SWCX)is the process of solar wind high-valence ions exchanging charges with neutral components and generating soft X-rays.Recently,detecting the SWCX emission from the magnetosphere is proposed as a new technique to study the magnetosphere using panoramic soft X-ray imaging.To better prepare for the data analysis of upcoming magnetospheric soft X-ray imaging missions,this paper compares the magnetospheric SWCX emission obtained by two methods in an XMM-Newton observation,during which the solar wind changed dramatically.The two methods differ in the data used to fit the diffuse X-ray background(DXB)parameters in spectral analysis.The method adding data from the ROSAT All-Sky Survey(RASS)is called the RASS method.The method using the quiet observation data is called the Quiet method,where quiet observations usually refer to observations made by the same satellite with the same target but under weaker solar wind conditions.Results show that the spectral compositions of magnetospheric SWCX emission obtained by the two methods are very similar,and the changes in intensity over time are highly consistent,although the intensity obtained by the RASS method is about 2.68±0.56 keV cm^(-2)s^(-1)sr^(-1)higher than that obtained by the Quiet method.Since the DXB intensity obtained by the RASS method is about 2.84±0.74 keV cm^(-2)s^(-1)sr^(-1)lower than that obtained by the Quiet method,and the linear correlation coefficient between the difference of SWCX and DXB obtained by the two methods in diffe rent energy band is close to-1,the diffe rences in magnetospheric SWCX can be fully attributed to the diffe rences in the fitted DXB.The difference between the two methods is most significant when the energy is less than 0.7 keV,which is also the main energy band of SWCX emission.In addition,the difference between the two methods is not related to the SWCX intensity and,to some extent,to solar wind conditions,because SWCX intensity typically va ries with the solar wind.In summary,both methods are robust and reliable,and should be considered based on the best available options.展开更多
A launching system with a filter cartridge structure was proposed to improve the muzzle velocity of the projectile.The combustion chamber of the launching system is divided into two fixed chambers,one is located in th...A launching system with a filter cartridge structure was proposed to improve the muzzle velocity of the projectile.The combustion chamber of the launching system is divided into two fixed chambers,one is located in the breech chamber,and the other is arranged in the barrel.The breech chamber charge was ignited first,and the charges in the auxiliary chambers were ignited by the high-temperature,highpressure combustible gas trailing the projectile.In this way,the combustible gas in the auxiliary chambers could compensate for the pressure drop caused by the movement of the projectile.The proposed device features the advantage of launching a projectile with high muzzle velocity without exceeding the maximum pressure in the chamber.In order to obtain some internal ballistic characteristics of the launch system,some critical structure,such as the length of the filter cartridge auxiliary charge,the combustion degree of the propellant in the chamber,and the length of the barrel,are discussed.The experimental results show that with the increased auxiliary charge length,a pressure plateau or even a secondary peak pressure can be formed,which is less than the peak pressure.The projectile velocity increased by 23.57%,14.64%,and 7.65%when the diaphragm thickness was 0 mm,1 mm,and2 mm,respectively.The muzzle velocity of the projectile can be increased by 13.42%by increasing the length of the barrel.Under the same charge condition,with the increase of barrel length,the energy utilization rate of propellant increases by 28.64%.展开更多
This paper proposes a type of double-layer charge liner fabricated using chemical vapor deposition(CVD)that has tungsten as its inner liner.The feasibility of this design was evaluated through penetration tests.Double...This paper proposes a type of double-layer charge liner fabricated using chemical vapor deposition(CVD)that has tungsten as its inner liner.The feasibility of this design was evaluated through penetration tests.Double-layer charge liners were fabricated by using CVD to deposit tungsten layers on the inner surfaces of pure T2 copper liners.The microstructures of the tungsten layers were analyzed using a scanning electron microscope(SEM).The feasibility analysis was carried out by pulsed X-rays,slug-retrieval test and static penetration tests.The shaped charge jet forming and penetration law of inner tungsten-coated double-layer liner were studied by numerical simulation method.The results showed that the double-layer liners could form well-shaped jets.The errors between the X-ray test results and the numerical results were within 11.07%.A slug-retrieval test was found that the retrieved slug was similar to a numerically simulated slug.Compared with the traditional pure copper shaped charge jet,the penetration depth of the double-layer shaped charge liner increased by 11.4% and>10.8% respectively.In summary,the test results are good,and the numerical simulation is in good agreement with the test,which verified the feasibility of using the CVD method to fabricate double-layer charge liners with a high-density and high-strength refractory metal as the inner liner.展开更多
The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial observations.In the present work,using the cold target recoil ion momentum spectroscopy,for the first ti...The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial observations.In the present work,using the cold target recoil ion momentum spectroscopy,for the first time we investigated the state-selective single electron capture processes for S^(q+)–He and H_(2)(q=11–15)collision systems at an impact energy of q×20 keV and obtained the relative state-selective cross sections.The results indicate that only a few principal quantum states of the projectile energy level are populated in a single electron capture process.In particular,the increase of the projectile charge state leads to the population of the states with higher principal quantum numbers.It is also shown that the experimental averaged n-shell populations are reproduced well by the over-barrier model.The database is openly available in Science Data Bank at 10.57760/sciencedb.j00113.00091.展开更多
The limited energy density of lithium-ion capacitors poses a significant obstacle to their widespread application,primarily stemming from the inability of the electrodes to simultaneously fulfill both high energy dens...The limited energy density of lithium-ion capacitors poses a significant obstacle to their widespread application,primarily stemming from the inability of the electrodes to simultaneously fulfill both high energy density and rapid charging requirements.Experimental data demonstrate that a directional particle configuration can enhance charging speed while maintaining high-capacity density,but it is rarely discussed.Here,we have developed a particle-level electrochemical model capable of reconstructing an electrode with a directional particle configuration.By employing this method,an investigation was conducted to explore how the spatial morphology characteristics of particle configuration impact the energy storage characteristics of electrodes.Results demonstrate that rational particle configuration can effectively enhance the transport of lithium ions and create additional space for lithium-ion storage.With the same particle size distribution,the best electrode can increase the discharge capacity by up to132.4% and increase the charging SOC by 11.3% compared to the ordinary electrode under the condition of 6 C.These findings provide a further understanding of the energy storage mechanism inside the anisotropic particle distribution electrode,which is important for developing high-performance lithium-ion capacitors.展开更多
Reactive armour is a very efficient add-on armour against shaped charge threats.Explosive reactive armour consists of one or several plates that are accelerated by an explosive.Similar but less violent acceleration of...Reactive armour is a very efficient add-on armour against shaped charge threats.Explosive reactive armour consists of one or several plates that are accelerated by an explosive.Similar but less violent acceleration of plates can also be achieved in a completely inert reactive armour.To be efficient against elongated jets,the motion of the plates needs to be inclined against the jet such that a sliding contact between the jet and the plates is established.This sliding contact causes a deflection and thinning of the jet.Under certain circumstances,the contact will become unstable,leading to severe disturbances on the jet.These disturbances will drastically reduce the jet penetration performance and it is therefore of interest to study the conditions that leads to an unstable contact.Previous studies on the interaction between shaped charge jets and flyer plates have shown that it is mainly the forward moving plate in an explosive reactive armour that is effective in disturbing the jet.This is usually attributed to the higher plate-to-jet mass flux ratio involved in the collision of the forward moving plate compared to the backward moving plate.For slow moving plates,as occurs in inert reactive armour,the difference in mass flux for the forward and backward moving plate is much lesser,and it is therefore of interest to study if other factors than the mass flux influences on the protection capability.In this work,experiments have been performed where a plate is accelerated along its length,interacting with a shaped charge jet that is fired at an oblique angle to the plate’s normal,either against or along the plate’s velocity.The arrangement corresponds to a jet interacting with a flyer plate from a reactive armour,with the exception that the collision velocity is the same for both types of obliquities in these experiments.The experiments show that disturbances on the jet are different in the two cases even though the collision velocities are the same.Numerical simulations of the interaction support the observation.The difference is attributed to the character of the contact pressure in the interaction region.For a backward moving plate,the maximum contact pressure is obtained at the beginning of the interaction zone and the contact pressure is therefore higher upstream than downstream of the jet while the opposite is true for a forward moving plate.A negative interface pressure gradient with respect to the jet motion results in a more stable flow than a positive,which means that the jet-plate contact is more stable for a backward moving plate than for a forward moving plate.A forward moving plate is thus more effective in disturbing the jet than a backward moving plate,not only because of the higher jet to plate mass flux ratio but also because of the character of the contact with the jet.展开更多
Free-standing covalent organic framework(COFs)nanofilms exhibit a remarkable ability to rapidly intercalate/de-intercalate Li^(+) in lithium-ion batteries,while simultaneously exposing affluent active sites in superca...Free-standing covalent organic framework(COFs)nanofilms exhibit a remarkable ability to rapidly intercalate/de-intercalate Li^(+) in lithium-ion batteries,while simultaneously exposing affluent active sites in supercapacitors.The development of these nanofilms offers a promising solution to address the persistent challenge of imbalanced charge storage kinetics between battery-type anode and capacitor-type cathode in lithium-ion capacitors(LICs).Herein,for the first time,custom-made COFBTMB-TP and COFTAPB-BPY nanofilms are synthesized as the anode and cathode,respectively,for an all-COF nanofilm-structured LIC.The COFBTMB-TP nanofilm with strong electronegative–CF3 groups enables tuning the partial electron cloud density for Li^(+) migration to ensure the rapid anode kinetic process.The thickness-regulated cathodic COFTAPB-BPY nanofilm can fit the anodic COF nanofilm in the capacity.Due to the aligned 1D channel,2D aromatic skeleton and accessible active sites of COF nanofilms,the whole COFTAPB-BPY//COFBTMB-TP LIC demonstrates a high energy density of 318 mWh cm^(−3) at a high-power density of 6 W cm^(−3),excellent rate capability,good cycle stability with the capacity retention rate of 77%after 5000-cycle.The COFTAPB-BPY//COFBTMB-TP LIC represents a new benchmark for currently reported film-type LICs and even film-type supercapacitors.After being comprehensively explored via ex situ XPS,7Li solid-state NMR analyses,and DFT calculation,it is found that the COFBTMB-TP nanofilm facilitates the reversible conversion of semi-ionic to ionic C–F bonds during lithium storage.COFBTMB-TP exhibits a strong interaction with Li^(+) due to the C–F,C=O,and C–N bonds,facilitating Li^(+) desolation and absorption from the electrolyte.This work addresses the challenge of imbalanced charge storage kinetics and capacity between the anode and cathode and also pave the way for future miniaturized and wearable LIC devices.展开更多
To study the effects of the initiation position on the damage and fracture characteristics of linear-charge blasting, blasting model experiments were conducted in this study using computed tomography scanning and thre...To study the effects of the initiation position on the damage and fracture characteristics of linear-charge blasting, blasting model experiments were conducted in this study using computed tomography scanning and three-dimensional reconstruction methods. The fractal damage theory was used to quantify the crack distribution and damage degree of sandstone specimens after blasting. The results showed that regardless of an inverse or top initiation, due to compression deformation and sliding frictional resistance, the plugging medium of the borehole is effective. The energy of the explosive gas near the top of the borehole is consumed. This affects the effective crushing of rocks near the top of the borehole, where the extent of damage to Sections Ⅰ and Ⅱ is less than that of Sections Ⅲ and Ⅳ. In addition, the analysis revealed that under conditions of top initiation, the reflected tensile damage of the rock at the free face of the top of the borehole and the compression deformation of the plug and friction consume more blasting energy, resulting in lower blasting energy efficiency for top initiation. As a result, the overall damage degree of the specimens in the top-initiation group was significantly smaller than that in the inverse-initiation group. Under conditions of inverse initiation, the blasting energy efficiency is greater, causing the specimen to experience greater damage. Therefore, in the engineering practice of rock tunnel cut blasting, to utilize blasting energy effectively and enhance the effects of rock fragmentation, using the inverse-initiation method is recommended. In addition, in three-dimensional(3D) rock blasting, the bottom of the borehole has obvious end effects under the conditions of inverse initiation, and the crack distribution at the bottom of the borehole is trumpet-shaped. The occurrence of an end effect in the 3D linear-charge blasting model experiment is related to the initiation position and the blocking condition.展开更多
With its generality and practicality, the combination of partial charging curves and machine learning(ML) for battery capacity estimation has attracted widespread attention. However, a clear classification,fair compar...With its generality and practicality, the combination of partial charging curves and machine learning(ML) for battery capacity estimation has attracted widespread attention. However, a clear classification,fair comparison, and performance rationalization of these methods are lacking, due to the scattered existing studies. To address these issues, we develop 20 capacity estimation methods from three perspectives:charging sequence construction, input forms, and ML models. 22,582 charging curves are generated from 44 cells with different battery chemistry and operating conditions to validate the performance. Through comprehensive and unbiased comparison, the long short-term memory(LSTM) based neural network exhibits the best accuracy and robustness. Across all 6503 tested samples, the mean absolute percentage error(MAPE) for capacity estimation using LSTM is 0.61%, with a maximum error of only 3.94%. Even with the addition of 3 m V voltage noise or the extension of sampling intervals to 60 s, the average MAPE remains below 2%. Furthermore, the charging sequences are provided with physical explanations related to battery degradation to enhance confidence in their application. Recommendations for using other competitive methods are also presented. This work provides valuable insights and guidance for estimating battery capacity based on partial charging curves.展开更多
On-demand droplet sorting is extensively applied for the efficient manipulation and genome-wide analysis of individual cells.However,state-of-the-art microfluidic chips for droplet sorting still suffer from low sortin...On-demand droplet sorting is extensively applied for the efficient manipulation and genome-wide analysis of individual cells.However,state-of-the-art microfluidic chips for droplet sorting still suffer from low sorting speeds,sample loss,and labor-intensive preparation procedures.Here,we demonstrate the development of a novel microfluidic chip that integrates droplet generation,on-demand electrostatic droplet charging,and high-throughput sorting.The charging electrode is a copper wire buried above the nozzle of the microchannel,and the deflecting electrode is the phosphate buffered saline in the microchannel,which greatly simplifies the structure and fabrication process of the chip.Moreover,this chip is capable of high-frequency droplet generation and sorting,with a frequency of 11.757 kHz in the drop state.The chip completes the selective charging process via electrostatic induction during droplet generation.On-demand charged microdroplets can arbitrarilymove to specific exit channels in a three-dimensional(3D)-deflected electric field,which can be controlled according to user requirements,and the flux of droplet deflection is thereby significantly enhanced.Furthermore,a lossless modification strategy is presented to improve the accuracy of droplet deflection or harvest rate from 97.49% to 99.38% by monitoring the frequency of droplet generation in real time and feeding it back to the charging signal.This chip has great potential for quantitative processing and analysis of single cells for elucidating cell-to-cell variations.展开更多
Launch safety of explosive charges has become an urgent problem to be solved by all countries in the world aslaunch situation of ammunition becomes consistentlyworse.However, the existing numericalmodels have differen...Launch safety of explosive charges has become an urgent problem to be solved by all countries in the world aslaunch situation of ammunition becomes consistentlyworse.However, the existing numericalmodels have differentdefects. This paper formulates an efficient computational model of the combustion of an explosive charge affectedby a bottom gap in the launch environment in the context of the material point method. The current temperatureis computed accurately from the heat balance equation, and different physical states of the explosive charges areconsidered through various equations of state. Microcracks in the explosive charges are described with respectto the viscoelastic statistical crackmechanics (Visco–SCRAM) model. Themethod for calculating the temperatureat the bottomof the explosive charge with respect to the bottomgap is described. Based on this combustionmodel,the temperature history of a Composition B (COMB) explosive charge in the presence of a bottom gap is obtainedduring the launch process of a 155-mm artillery. The simulation results show that the bottom gap thickness shouldbe no greater than 0.039 cm to ensure the safety of the COM B explosive charge in the launch environment. Thisconclusion is consistent with previous results and verifies the correctness of the proposed model. Ultimately, thispaper derives amathematical expression for themaximumtemperature of the COMB explosive chargewith respectto the bottomgap thickness (over the range of 0.00–0.039 cm), and establishes a quantitative evaluationmethod forthe launch safety of explosive charges.The research results provide some guidance for the assessment and detectionof explosive charge safety in complex launch environments.展开更多
Progress in the fast charging of high-capacity silicon monoxide(SiO)-based anode is currently hindered by insufficient conductivity and notable volume expansion.The construction of an interface conductive network effe...Progress in the fast charging of high-capacity silicon monoxide(SiO)-based anode is currently hindered by insufficient conductivity and notable volume expansion.The construction of an interface conductive network effectively addresses the aforementioned problems;however,the impact of its quality on lithium-ion transfer and structure durability is yet to be explored.Herein,the influence of an interface conductive network on ionic transport and mechanical stability under fast charging is explored for the first time.2D modeling simulation and Cryo-transmission electron microscopy precisely reveal the mitigation of interface polarization owing to a higher fraction of conductive inorganic species formation in bilayer solid electrolyte interphase is mainly responsible for a linear decrease in ionic diffusion energy barrier.Furthermore,atomic force microscopy and Raman shift exhibit substantial stress dissipation generated by a complete conductive network,which is critical to the linear reduction of electrode residual stress.This study provides insights into the rational design of optimized interface SiO-based anodes with reinforced fast-charging performance.展开更多
The extended kernel ridge regression(EKRR)method with odd-even effects was adopted to improve the description of the nuclear charge radius using five commonly used nuclear models.These are:(i)the isospin-dependent A^(...The extended kernel ridge regression(EKRR)method with odd-even effects was adopted to improve the description of the nuclear charge radius using five commonly used nuclear models.These are:(i)the isospin-dependent A^(1∕3) formula,(ii)relativistic continuum Hartree-Bogoliubov(RCHB)theory,(iii)Hartree-Fock-Bogoliubov(HFB)model HFB25,(iv)the Weizsacker-Skyrme(WS)model WS*,and(v)HFB25*model.In the last two models,the charge radii were calculated using a five-parameter formula with the nuclear shell corrections and deformations obtained from the WS and HFB25 models,respectively.For each model,the resultant root-mean-square deviation for the 1014 nuclei with proton number Z≥8 can be significantly reduced to 0.009-0.013 fm after considering the modification with the EKRR method.The best among them was the RCHB model,with a root-mean-square deviation of 0.0092 fm.The extrapolation abilities of the KRR and EKRR methods for the neutron-rich region were examined,and it was found that after considering the odd-even effects,the extrapolation power was improved compared with that of the original KRR method.The strong odd-even staggering of nuclear charge radii of Ca and Cu isotopes and the abrupt kinks across the neutron N=126 and 82 shell closures were also calculated and could be reproduced quite well by calculations using the EKRR method.展开更多
California mandated that 100% of vehicles sold must be electric by 2035. As electric vehicles (EVs) reach a higher penetration of the car sector, cities will need to provide publicly accessible charging stations to me...California mandated that 100% of vehicles sold must be electric by 2035. As electric vehicles (EVs) reach a higher penetration of the car sector, cities will need to provide publicly accessible charging stations to meet the charging demand of people who do not have access to a private charging spot like a personal garage. We have chosen to limit our scope to San Diego County due to its non-trivial size, well-defined shape, and dependence on personal vehicles;this project models 100% of current vehicles as electric, roughly 2.5 million. By planning for the future, our model becomes more useful as well as more equitable. We anticipate that our model will find locations that can service multiple population centers, while also maximizing distance to other stations. Sensitivity analysis and testing of our algorithms are conducted for Coronado Island, an island with 24,697 residents. Our formulation is then scaled to set the parameters for the whole county.展开更多
Biocatalysis in organic solvents(OSs)has numerous important applications,but native enzymes in OSs often exhibit limited catalytic performance.Herein,we proposed a computation-aided surface charge engineering strategy...Biocatalysis in organic solvents(OSs)has numerous important applications,but native enzymes in OSs often exhibit limited catalytic performance.Herein,we proposed a computation-aided surface charge engineering strategy to improve the catalytic performance of haloalkane dehalogenase DhaA in OSs based on the energetic analysis of substrate binding to the DhaA surface.Several variants with enhanced OS resistance were obtained by replacing negative charged residues on the surface with positive charged residue(Arg).Particularly,a four-substitution variant E16R/E93R/E121R/E257R exhibited the best catalytic performance(five-fold improvement in OS resistance and seven-fold half-life increase in 40%(vol)dimethylsulfoxide).As a result,the overall catalytic performance of the variant could be at least 26 times higher than the wild-type DhaA.Fluorescence spectroscopy and molecular dynamics simulation studies revealed that the residue substitution mainly enhanced OS resistance from four aspects:(a)improved the overall structural stability,(b)increased the hydrophobicity of the local microenvironment around the catalytic triad,(c)enriched the hydrophobic substrate around the enzyme molecule,and(d)lowered the contact frequency between OS molecules and the catalytic triad.Our findings validate that computationaided surface charge engineering is an effective and ingenious rational strategy for tailoring enzyme performance in OSs.展开更多
基金supported by the Air Force Office of Scientific Research Grant No.FA9550-17-1-0264supported by the DOE,Office of Science,Fusion Energy Sciences under Contract No.DE-SC0021125+2 种基金supported by the U.S.Department of Energy Grant No.DESC0011617.D.A.Jarozynski,E.Brunetti,B.Ersfeld,and S.Yoffe would like to acknowledge support from the U.K.EPSRC(Grant Nos.EP/J018171/1 and EP/N028694/1)the European Union’s Horizon 2020 research and innovation program under Grant Agreement No.871124 Laserlab-Europe and EuPRAXIA(Grant No.653782)funded by the N8 research partnership and EPSRC(Grant No.EP/T022167/1).
文摘An intense laser pulse focused onto a plasma can excite nonlinear plasma waves.Under appropriate conditions,electrons from the background plasma are trapped in the plasma wave and accelerated to ultra-relativistic velocities.This scheme is called a laser wakefield accelerator.In this work,we present results from a laser wakefield acceleration experiment using a petawatt-class laser to excite the wakefields as well as nanoparticles to assist the injection of electrons into the accelerating phase of the wakefields.We find that a 10-cm-long,nanoparticle-assisted laser wakefield accelerator can generate 340 pC,10±1.86 GeV electron bunches with a 3.4 GeV rms convolved energy spread and a 0.9 mrad rms divergence.It can also produce bunches with lower energies in the 4–6 GeV range.
文摘Solar Wind Charge eXchange X-ray(SWCX) emission in the heliosphere and Ea rth’s exosphere is a hard to avoid signal in soft Xray obse rvations of astrophysical targets.On the other hand,the X-ray imaging possibilities offered by the SWCX process has led to an increasing number of future dedicated space missions for investigating the solar wind-terrestrial inte ractions and magnetospheric interfaces.In both cases,accurate modelling of the SWCX emission is key to correctly interpret its signal,and remove it from obse rvations,when needed.In this paper,we compile solar wind abundance measurements from ACE for different solar wind types,and atomic data from literature,including charge exchange cross-sections and emission probabilities,used fo r calculating the compound cross-section a for the SWCX X-ray emission.We calculate a values for charge-exchange with H and He,relevant to soft X-ray energy bands(0.1-2.0 keV)for various solar wind types and solar cycle conditions.
文摘We consider the so-called Thomson problem which refers to finding the equilibrium distribution of a finite number of mutually repelling point charges on the surface of a sphere, but for the case where the sphere is replaced by a spheroid or ellipsoid. To get started, we first consider the problem in two dimensions, with point charges on circles (for which the equilibrium distribution is intuitively obvious) and ellipses. We then generalize the approach to the three-dimensional case of an ellipsoid. The method we use is to begin with a random distribution of charges on the surface and allow each point charge to move tangentially to the surface due to the sum of all Coulomb forces it feels from the other charges. Deriving the proper equations of motion requires using a projection operator to project the total force on each point charge onto the tangent plane of the surface. The position vectors then evolve and find their final equilibrium distribution naturally. For the case of ellipses and ellipsoids or spheroids, we find that multiple distinct equilibria are possible for certain numbers of charges, depending on the starting conditions. We characterize these based on their total potential energies. Some of the equilibria found turn out to represent local minima in the potential energy landscape, while others represent the global minimum. We devise a method based on comparing the moment-of-inertia tensors of the final configurations to distinguish them from one another.
基金supported by the National Key Research and Development Program of China (No.2018YFA0703500)the National Natural Science Foundation of China(Nos.52232006,52188101,52102153,52072029,51991340,and 51991342)+2 种基金the Overseas Expertise Introduction Projects for Discipline Innovation (No.B14003)the China Postdoctoral Science Foundation (No.2021M700379)the Fundamental Research Funds for Central Universities(No.FRF-TP-18-001C1)。
文摘Although the research history of triboelectrification has been more than 2000 years, there are still many problems to be solved so far.The use of scanning probe microscopy provides an important way to quantitatively study the transfer, accumulation, and dissipation of triboelectric charges in the process of triboelectrification. Two-dimensional materials are considered to be key materials for new electronic devices in the post-Moore era due to their atomic-scale size advantages. If the electrostatic field generated by triboelectrification can be used to replace the traditional gate electrostatic field, it is expected to simplify the structure of two-dimensional electronic devices and reconfigure them at any time according to actual needs. Here, we investigate the triboelectrification process of various two-dimensional materials such as MoS_(2), WSe_(2),and ZnO. Different from traditional bulk materials, after two-dimensional materials are rubbed, the triboelectric charges generated may tunnel through the two-dimensional materials to the underlying substrate surface. Because the tunneling triboelectric charge is protected by the twodimensional material, its stable residence time on the substrate surface can reach more than 7 days, which is more than tens of minutes for the traditional triboelectric charge. In addition, the electrostatic field generated by the tunneling triboelectric charge can effectively regulate the carrier transport performance of two-dimensional materials, and the source–drain current of the field effect device regulated by the triboelectric floating gate is increased by nearly 60 times. The triboelectric charge tunneling phenomenon in two-dimensional materials is expected to be applied in the fields of new two-dimensional electronic devices and reconfigurable functional circuits.
基金supported by NNSFC grants 42322408,42188101 and 42074202the Strategic Pioneer Program on Space Science,CAS Grant nos.XDA15350201+3 种基金in part by the Research Fund from the Chinese Academy of Sciencesthe Specialized Research Fund for State Key Laboratories of China.supported by the Young Elite Scientists Sponsorship Program(CAST-Y202045)supported by Royal Society grant DHFR1211068。
文摘Solar wind charge exchange(SWCX)is the process of solar wind high-valence ions exchanging charges with neutral components and generating soft X-rays.Recently,detecting the SWCX emission from the magnetosphere is proposed as a new technique to study the magnetosphere using panoramic soft X-ray imaging.To better prepare for the data analysis of upcoming magnetospheric soft X-ray imaging missions,this paper compares the magnetospheric SWCX emission obtained by two methods in an XMM-Newton observation,during which the solar wind changed dramatically.The two methods differ in the data used to fit the diffuse X-ray background(DXB)parameters in spectral analysis.The method adding data from the ROSAT All-Sky Survey(RASS)is called the RASS method.The method using the quiet observation data is called the Quiet method,where quiet observations usually refer to observations made by the same satellite with the same target but under weaker solar wind conditions.Results show that the spectral compositions of magnetospheric SWCX emission obtained by the two methods are very similar,and the changes in intensity over time are highly consistent,although the intensity obtained by the RASS method is about 2.68±0.56 keV cm^(-2)s^(-1)sr^(-1)higher than that obtained by the Quiet method.Since the DXB intensity obtained by the RASS method is about 2.84±0.74 keV cm^(-2)s^(-1)sr^(-1)lower than that obtained by the Quiet method,and the linear correlation coefficient between the difference of SWCX and DXB obtained by the two methods in diffe rent energy band is close to-1,the diffe rences in magnetospheric SWCX can be fully attributed to the diffe rences in the fitted DXB.The difference between the two methods is most significant when the energy is less than 0.7 keV,which is also the main energy band of SWCX emission.In addition,the difference between the two methods is not related to the SWCX intensity and,to some extent,to solar wind conditions,because SWCX intensity typically va ries with the solar wind.In summary,both methods are robust and reliable,and should be considered based on the best available options.
基金financially supported by the National Natural Science Foundation of China under Project No.51874267 and No.12272374the Fundamental Research Funds for the Central Universities under Project Nos.WK2480000008,WK2480000007,and WK2320000049。
文摘A launching system with a filter cartridge structure was proposed to improve the muzzle velocity of the projectile.The combustion chamber of the launching system is divided into two fixed chambers,one is located in the breech chamber,and the other is arranged in the barrel.The breech chamber charge was ignited first,and the charges in the auxiliary chambers were ignited by the high-temperature,highpressure combustible gas trailing the projectile.In this way,the combustible gas in the auxiliary chambers could compensate for the pressure drop caused by the movement of the projectile.The proposed device features the advantage of launching a projectile with high muzzle velocity without exceeding the maximum pressure in the chamber.In order to obtain some internal ballistic characteristics of the launch system,some critical structure,such as the length of the filter cartridge auxiliary charge,the combustion degree of the propellant in the chamber,and the length of the barrel,are discussed.The experimental results show that with the increased auxiliary charge length,a pressure plateau or even a secondary peak pressure can be formed,which is less than the peak pressure.The projectile velocity increased by 23.57%,14.64%,and 7.65%when the diaphragm thickness was 0 mm,1 mm,and2 mm,respectively.The muzzle velocity of the projectile can be increased by 13.42%by increasing the length of the barrel.Under the same charge condition,with the increase of barrel length,the energy utilization rate of propellant increases by 28.64%.
基金funded by the China Postdoctoral Science Foundation(Grant No.2022M721614)the opening project of State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology(Grant No.KFJJ23-07M)。
文摘This paper proposes a type of double-layer charge liner fabricated using chemical vapor deposition(CVD)that has tungsten as its inner liner.The feasibility of this design was evaluated through penetration tests.Double-layer charge liners were fabricated by using CVD to deposit tungsten layers on the inner surfaces of pure T2 copper liners.The microstructures of the tungsten layers were analyzed using a scanning electron microscope(SEM).The feasibility analysis was carried out by pulsed X-rays,slug-retrieval test and static penetration tests.The shaped charge jet forming and penetration law of inner tungsten-coated double-layer liner were studied by numerical simulation method.The results showed that the double-layer liners could form well-shaped jets.The errors between the X-ray test results and the numerical results were within 11.07%.A slug-retrieval test was found that the retrieved slug was similar to a numerically simulated slug.Compared with the traditional pure copper shaped charge jet,the penetration depth of the double-layer shaped charge liner increased by 11.4% and>10.8% respectively.In summary,the test results are good,and the numerical simulation is in good agreement with the test,which verified the feasibility of using the CVD method to fabricate double-layer charge liners with a high-density and high-strength refractory metal as the inner liner.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFA0402400)the National Natural Science Foundation of China(Grant Nos.11974358 and 11934004)+1 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB34020000)the Heavy Ion Research Facility in Lanzhou(HIRFL).
文摘The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial observations.In the present work,using the cold target recoil ion momentum spectroscopy,for the first time we investigated the state-selective single electron capture processes for S^(q+)–He and H_(2)(q=11–15)collision systems at an impact energy of q×20 keV and obtained the relative state-selective cross sections.The results indicate that only a few principal quantum states of the projectile energy level are populated in a single electron capture process.In particular,the increase of the projectile charge state leads to the population of the states with higher principal quantum numbers.It is also shown that the experimental averaged n-shell populations are reproduced well by the over-barrier model.The database is openly available in Science Data Bank at 10.57760/sciencedb.j00113.00091.
基金This work is supported by the National Key R&D Program of China(2021YFB2400400).
文摘The limited energy density of lithium-ion capacitors poses a significant obstacle to their widespread application,primarily stemming from the inability of the electrodes to simultaneously fulfill both high energy density and rapid charging requirements.Experimental data demonstrate that a directional particle configuration can enhance charging speed while maintaining high-capacity density,but it is rarely discussed.Here,we have developed a particle-level electrochemical model capable of reconstructing an electrode with a directional particle configuration.By employing this method,an investigation was conducted to explore how the spatial morphology characteristics of particle configuration impact the energy storage characteristics of electrodes.Results demonstrate that rational particle configuration can effectively enhance the transport of lithium ions and create additional space for lithium-ion storage.With the same particle size distribution,the best electrode can increase the discharge capacity by up to132.4% and increase the charging SOC by 11.3% compared to the ordinary electrode under the condition of 6 C.These findings provide a further understanding of the energy storage mechanism inside the anisotropic particle distribution electrode,which is important for developing high-performance lithium-ion capacitors.
基金funded by the Swedish Armed Forces under Contract No AT.9220620。
文摘Reactive armour is a very efficient add-on armour against shaped charge threats.Explosive reactive armour consists of one or several plates that are accelerated by an explosive.Similar but less violent acceleration of plates can also be achieved in a completely inert reactive armour.To be efficient against elongated jets,the motion of the plates needs to be inclined against the jet such that a sliding contact between the jet and the plates is established.This sliding contact causes a deflection and thinning of the jet.Under certain circumstances,the contact will become unstable,leading to severe disturbances on the jet.These disturbances will drastically reduce the jet penetration performance and it is therefore of interest to study the conditions that leads to an unstable contact.Previous studies on the interaction between shaped charge jets and flyer plates have shown that it is mainly the forward moving plate in an explosive reactive armour that is effective in disturbing the jet.This is usually attributed to the higher plate-to-jet mass flux ratio involved in the collision of the forward moving plate compared to the backward moving plate.For slow moving plates,as occurs in inert reactive armour,the difference in mass flux for the forward and backward moving plate is much lesser,and it is therefore of interest to study if other factors than the mass flux influences on the protection capability.In this work,experiments have been performed where a plate is accelerated along its length,interacting with a shaped charge jet that is fired at an oblique angle to the plate’s normal,either against or along the plate’s velocity.The arrangement corresponds to a jet interacting with a flyer plate from a reactive armour,with the exception that the collision velocity is the same for both types of obliquities in these experiments.The experiments show that disturbances on the jet are different in the two cases even though the collision velocities are the same.Numerical simulations of the interaction support the observation.The difference is attributed to the character of the contact pressure in the interaction region.For a backward moving plate,the maximum contact pressure is obtained at the beginning of the interaction zone and the contact pressure is therefore higher upstream than downstream of the jet while the opposite is true for a forward moving plate.A negative interface pressure gradient with respect to the jet motion results in a more stable flow than a positive,which means that the jet-plate contact is more stable for a backward moving plate than for a forward moving plate.A forward moving plate is thus more effective in disturbing the jet than a backward moving plate,not only because of the higher jet to plate mass flux ratio but also because of the character of the contact with the jet.
基金We are grateful to National Natural Science Foundation of China(Grant No.22375056,52272163)the Key R&D Program of Hebei(Grant No.216Z1201G)+1 种基金Natural Science Foundation of Hebei Province(Grant No.E2022208066,B2021208014)Key R&D Program of Hebei Technological Innovation Center of Chiral Medicine(Grant No.ZXJJ20220105).
文摘Free-standing covalent organic framework(COFs)nanofilms exhibit a remarkable ability to rapidly intercalate/de-intercalate Li^(+) in lithium-ion batteries,while simultaneously exposing affluent active sites in supercapacitors.The development of these nanofilms offers a promising solution to address the persistent challenge of imbalanced charge storage kinetics between battery-type anode and capacitor-type cathode in lithium-ion capacitors(LICs).Herein,for the first time,custom-made COFBTMB-TP and COFTAPB-BPY nanofilms are synthesized as the anode and cathode,respectively,for an all-COF nanofilm-structured LIC.The COFBTMB-TP nanofilm with strong electronegative–CF3 groups enables tuning the partial electron cloud density for Li^(+) migration to ensure the rapid anode kinetic process.The thickness-regulated cathodic COFTAPB-BPY nanofilm can fit the anodic COF nanofilm in the capacity.Due to the aligned 1D channel,2D aromatic skeleton and accessible active sites of COF nanofilms,the whole COFTAPB-BPY//COFBTMB-TP LIC demonstrates a high energy density of 318 mWh cm^(−3) at a high-power density of 6 W cm^(−3),excellent rate capability,good cycle stability with the capacity retention rate of 77%after 5000-cycle.The COFTAPB-BPY//COFBTMB-TP LIC represents a new benchmark for currently reported film-type LICs and even film-type supercapacitors.After being comprehensively explored via ex situ XPS,7Li solid-state NMR analyses,and DFT calculation,it is found that the COFBTMB-TP nanofilm facilitates the reversible conversion of semi-ionic to ionic C–F bonds during lithium storage.COFBTMB-TP exhibits a strong interaction with Li^(+) due to the C–F,C=O,and C–N bonds,facilitating Li^(+) desolation and absorption from the electrolyte.This work addresses the challenge of imbalanced charge storage kinetics and capacity between the anode and cathode and also pave the way for future miniaturized and wearable LIC devices.
基金supported by the National Natural Science Foundation of China (No.52204085)the Interdisciplinary Research Project for Young Teachers of USTB,Fundamental Research Funds for the Central Universities (No.FRF-IDRY-21-006).
文摘To study the effects of the initiation position on the damage and fracture characteristics of linear-charge blasting, blasting model experiments were conducted in this study using computed tomography scanning and three-dimensional reconstruction methods. The fractal damage theory was used to quantify the crack distribution and damage degree of sandstone specimens after blasting. The results showed that regardless of an inverse or top initiation, due to compression deformation and sliding frictional resistance, the plugging medium of the borehole is effective. The energy of the explosive gas near the top of the borehole is consumed. This affects the effective crushing of rocks near the top of the borehole, where the extent of damage to Sections Ⅰ and Ⅱ is less than that of Sections Ⅲ and Ⅳ. In addition, the analysis revealed that under conditions of top initiation, the reflected tensile damage of the rock at the free face of the top of the borehole and the compression deformation of the plug and friction consume more blasting energy, resulting in lower blasting energy efficiency for top initiation. As a result, the overall damage degree of the specimens in the top-initiation group was significantly smaller than that in the inverse-initiation group. Under conditions of inverse initiation, the blasting energy efficiency is greater, causing the specimen to experience greater damage. Therefore, in the engineering practice of rock tunnel cut blasting, to utilize blasting energy effectively and enhance the effects of rock fragmentation, using the inverse-initiation method is recommended. In addition, in three-dimensional(3D) rock blasting, the bottom of the borehole has obvious end effects under the conditions of inverse initiation, and the crack distribution at the bottom of the borehole is trumpet-shaped. The occurrence of an end effect in the 3D linear-charge blasting model experiment is related to the initiation position and the blocking condition.
基金supported by the National Natural Science Foundation of China (52075420)the National Key Research and Development Program of China (2020YFB1708400)。
文摘With its generality and practicality, the combination of partial charging curves and machine learning(ML) for battery capacity estimation has attracted widespread attention. However, a clear classification,fair comparison, and performance rationalization of these methods are lacking, due to the scattered existing studies. To address these issues, we develop 20 capacity estimation methods from three perspectives:charging sequence construction, input forms, and ML models. 22,582 charging curves are generated from 44 cells with different battery chemistry and operating conditions to validate the performance. Through comprehensive and unbiased comparison, the long short-term memory(LSTM) based neural network exhibits the best accuracy and robustness. Across all 6503 tested samples, the mean absolute percentage error(MAPE) for capacity estimation using LSTM is 0.61%, with a maximum error of only 3.94%. Even with the addition of 3 m V voltage noise or the extension of sampling intervals to 60 s, the average MAPE remains below 2%. Furthermore, the charging sequences are provided with physical explanations related to battery degradation to enhance confidence in their application. Recommendations for using other competitive methods are also presented. This work provides valuable insights and guidance for estimating battery capacity based on partial charging curves.
基金The authors acknowledge the financial support from the NationalNatural Science Foundation ofChina(No.52275562)the Technology Innovation Fund of Huazhong University of Science and Technology(No.2022JYCXJJ015).
文摘On-demand droplet sorting is extensively applied for the efficient manipulation and genome-wide analysis of individual cells.However,state-of-the-art microfluidic chips for droplet sorting still suffer from low sorting speeds,sample loss,and labor-intensive preparation procedures.Here,we demonstrate the development of a novel microfluidic chip that integrates droplet generation,on-demand electrostatic droplet charging,and high-throughput sorting.The charging electrode is a copper wire buried above the nozzle of the microchannel,and the deflecting electrode is the phosphate buffered saline in the microchannel,which greatly simplifies the structure and fabrication process of the chip.Moreover,this chip is capable of high-frequency droplet generation and sorting,with a frequency of 11.757 kHz in the drop state.The chip completes the selective charging process via electrostatic induction during droplet generation.On-demand charged microdroplets can arbitrarilymove to specific exit channels in a three-dimensional(3D)-deflected electric field,which can be controlled according to user requirements,and the flux of droplet deflection is thereby significantly enhanced.Furthermore,a lossless modification strategy is presented to improve the accuracy of droplet deflection or harvest rate from 97.49% to 99.38% by monitoring the frequency of droplet generation in real time and feeding it back to the charging signal.This chip has great potential for quantitative processing and analysis of single cells for elucidating cell-to-cell variations.
基金the Natural Science Foundation of Heilongjiang Province,China(LH2019A008).
文摘Launch safety of explosive charges has become an urgent problem to be solved by all countries in the world aslaunch situation of ammunition becomes consistentlyworse.However, the existing numericalmodels have differentdefects. This paper formulates an efficient computational model of the combustion of an explosive charge affectedby a bottom gap in the launch environment in the context of the material point method. The current temperatureis computed accurately from the heat balance equation, and different physical states of the explosive charges areconsidered through various equations of state. Microcracks in the explosive charges are described with respectto the viscoelastic statistical crackmechanics (Visco–SCRAM) model. Themethod for calculating the temperatureat the bottomof the explosive charge with respect to the bottomgap is described. Based on this combustionmodel,the temperature history of a Composition B (COMB) explosive charge in the presence of a bottom gap is obtainedduring the launch process of a 155-mm artillery. The simulation results show that the bottom gap thickness shouldbe no greater than 0.039 cm to ensure the safety of the COM B explosive charge in the launch environment. Thisconclusion is consistent with previous results and verifies the correctness of the proposed model. Ultimately, thispaper derives amathematical expression for themaximumtemperature of the COMB explosive chargewith respectto the bottomgap thickness (over the range of 0.00–0.039 cm), and establishes a quantitative evaluationmethod forthe launch safety of explosive charges.The research results provide some guidance for the assessment and detectionof explosive charge safety in complex launch environments.
基金the National Natural Science Foundation of China(Nos.22209095 and 22238004).
文摘Progress in the fast charging of high-capacity silicon monoxide(SiO)-based anode is currently hindered by insufficient conductivity and notable volume expansion.The construction of an interface conductive network effectively addresses the aforementioned problems;however,the impact of its quality on lithium-ion transfer and structure durability is yet to be explored.Herein,the influence of an interface conductive network on ionic transport and mechanical stability under fast charging is explored for the first time.2D modeling simulation and Cryo-transmission electron microscopy precisely reveal the mitigation of interface polarization owing to a higher fraction of conductive inorganic species formation in bilayer solid electrolyte interphase is mainly responsible for a linear decrease in ionic diffusion energy barrier.Furthermore,atomic force microscopy and Raman shift exhibit substantial stress dissipation generated by a complete conductive network,which is critical to the linear reduction of electrode residual stress.This study provides insights into the rational design of optimized interface SiO-based anodes with reinforced fast-charging performance.
基金This work was supported by the National Natural Science Foundation of China(Nos.11875027,11975096).
文摘The extended kernel ridge regression(EKRR)method with odd-even effects was adopted to improve the description of the nuclear charge radius using five commonly used nuclear models.These are:(i)the isospin-dependent A^(1∕3) formula,(ii)relativistic continuum Hartree-Bogoliubov(RCHB)theory,(iii)Hartree-Fock-Bogoliubov(HFB)model HFB25,(iv)the Weizsacker-Skyrme(WS)model WS*,and(v)HFB25*model.In the last two models,the charge radii were calculated using a five-parameter formula with the nuclear shell corrections and deformations obtained from the WS and HFB25 models,respectively.For each model,the resultant root-mean-square deviation for the 1014 nuclei with proton number Z≥8 can be significantly reduced to 0.009-0.013 fm after considering the modification with the EKRR method.The best among them was the RCHB model,with a root-mean-square deviation of 0.0092 fm.The extrapolation abilities of the KRR and EKRR methods for the neutron-rich region were examined,and it was found that after considering the odd-even effects,the extrapolation power was improved compared with that of the original KRR method.The strong odd-even staggering of nuclear charge radii of Ca and Cu isotopes and the abrupt kinks across the neutron N=126 and 82 shell closures were also calculated and could be reproduced quite well by calculations using the EKRR method.
文摘California mandated that 100% of vehicles sold must be electric by 2035. As electric vehicles (EVs) reach a higher penetration of the car sector, cities will need to provide publicly accessible charging stations to meet the charging demand of people who do not have access to a private charging spot like a personal garage. We have chosen to limit our scope to San Diego County due to its non-trivial size, well-defined shape, and dependence on personal vehicles;this project models 100% of current vehicles as electric, roughly 2.5 million. By planning for the future, our model becomes more useful as well as more equitable. We anticipate that our model will find locations that can service multiple population centers, while also maximizing distance to other stations. Sensitivity analysis and testing of our algorithms are conducted for Coronado Island, an island with 24,697 residents. Our formulation is then scaled to set the parameters for the whole county.
基金funded by the National Key Research and Development Program of China(2018YFA0900702).
文摘Biocatalysis in organic solvents(OSs)has numerous important applications,but native enzymes in OSs often exhibit limited catalytic performance.Herein,we proposed a computation-aided surface charge engineering strategy to improve the catalytic performance of haloalkane dehalogenase DhaA in OSs based on the energetic analysis of substrate binding to the DhaA surface.Several variants with enhanced OS resistance were obtained by replacing negative charged residues on the surface with positive charged residue(Arg).Particularly,a four-substitution variant E16R/E93R/E121R/E257R exhibited the best catalytic performance(five-fold improvement in OS resistance and seven-fold half-life increase in 40%(vol)dimethylsulfoxide).As a result,the overall catalytic performance of the variant could be at least 26 times higher than the wild-type DhaA.Fluorescence spectroscopy and molecular dynamics simulation studies revealed that the residue substitution mainly enhanced OS resistance from four aspects:(a)improved the overall structural stability,(b)increased the hydrophobicity of the local microenvironment around the catalytic triad,(c)enriched the hydrophobic substrate around the enzyme molecule,and(d)lowered the contact frequency between OS molecules and the catalytic triad.Our findings validate that computationaided surface charge engineering is an effective and ingenious rational strategy for tailoring enzyme performance in OSs.