A two-dimensional self-consistent fluid model is employed to investigate radio-frequency process parameters on the plasma properties in Ar microdischarges. The neutral gas density and temperature balance equations are...A two-dimensional self-consistent fluid model is employed to investigate radio-frequency process parameters on the plasma properties in Ar microdischarges. The neutral gas density and temperature balance equations are taken into account. We mainly investigate the effect of the electrode gap on the spatial distribution of the electron density and electron temperature profiles, due to a mode transition from the regime（secondary electrons emission is responsible for the significant ionization） to the regime（sheath oscillations and bulk electrons are responsible for sustaining discharge） induced by a sudden decrease of electron density and electron temperature.The pressure, radio-frequency sources frequency and voltage effects on the electron density are also elaborately investigated.展开更多
Interdigitated back contact（IBC） solar cells can achieve a very high efficiency due to its less optical losses. But IBC solar cells demand for high quality passivation of the front surface. In this paper, a polycrys...Interdigitated back contact（IBC） solar cells can achieve a very high efficiency due to its less optical losses. But IBC solar cells demand for high quality passivation of the front surface. In this paper, a polycrystalline silicon/SiO_2 stack structure as front surface field to passivate the front surface of IBC solar cells is proposed. The passivation quality of this structure is investigated by two dimensional simulations. Polycrystalline silicon layer and SiO_2 layer are optimized to get the best passivation quality of the IBC solar cell. Simulation results indicate that the doping level of polycrystalline silicon should be high enough to allow a very thin polycrystalline silicon layer to ensure an effective passivation and small optical losses at the same time. The thickness of SiO_2 should be neither too thin nor too thick, and the optimal thickness is 1.2 nm.Furthermore, the lateral transport properties of electrons are investigated, and the simulation results indicate that a high doping level and conductivity of polycrystalline silicon can improve the lateral transportation of electrons and then the cell performance.展开更多
Guiding wall is used to change the flow of the oxidation ditch as supporting structure, it widely uses eccentric setting, and its setting parameters are mostly empirical judgments. According to fluent software that si...Guiding wall is used to change the flow of the oxidation ditch as supporting structure, it widely uses eccentric setting, and its setting parameters are mostly empirical judgments. According to fluent software that simulates the velocity distribution of the guiding wall, to discuss the settings of the guiding wall in different length of downstream extension, eccentricity and guiding wall radius, so to work out its optimized settings.展开更多
The characteristics of a collisional dual frequency （DF） sheath near an electrode with a cylindrical hole are studied by utilizing a two-dimensional model which includes time-dependent fluid equations coupled with t...The characteristics of a collisional dual frequency （DF） sheath near an electrode with a cylindrical hole are studied by utilizing a two-dimensional model which includes time-dependent fluid equations coupled with the Poisson equation and an equivalent-circuit model, The effects of the gas pressure on the two-dimensional profiles of the potential, electric field, ion fluid velocity in a DF sheath are investigated. The simulation results show that the cylindrical hole on the electrode has a significant influence on the DF sheath structure, i.e., the sheath profile tends to wrap around the contour of the hole feature. Moreover, it is shown that the structure of the DF sheath is different from that of a single frequency （SF） sheath because the profile of the DF sheath is modulated by the combination of the high and low frequency sources. In addition the characteristics of the DF sheath are obviously affected by the collisional effects in the DF sheath.展开更多
A two-dimensional model of a weakly-ionized hydrogen direct-current （DC） discharge at low pressure is simulated. In the model, the metal electron overflow and secondary electron emission coefficient at the cathode s...A two-dimensional model of a weakly-ionized hydrogen direct-current （DC） discharge at low pressure is simulated. In the model, the metal electron overflow and secondary electron emission coefficient at the cathode spot axe introduced to represent the relationship between the electron and ion density, and the electron energy distribution function is expressed by kinetic theory. The electron current density and reaction constant reasonably set on the boundary are discussed. It is determined that 11 collision reactions play a major role in low pressure and weakly ionized hydrogen discharge. On this basis, the relationship between mobility, electrode spacing, and breakdown voltage is verified. Good agreement is achieved between the simulation curve and Paschen curve.展开更多
Recent studies on hydrogen combustion were reviewed briefly. The laminar flow and combustion of premixed hydrogen/air mixture in a cylindrical channel of a monolith reactor with and without catalytic wall was numerica...Recent studies on hydrogen combustion were reviewed briefly. The laminar flow and combustion of premixed hydrogen/air mixture in a cylindrical channel of a monolith reactor with and without catalytic wall was numerically modeled by solving two-dimensional (2-D) Navier-Stokes (N-S) equations, energy equation, and species equations. Eight gas species and twenty reversible gas reactions were considered. The control volume technique and the SIMPLE algorithm were used to solve the partial differential equations. The streamlines of the flow field, temperature contours, the entrance length, and the concentration fields were computed. It is found that the entrance zone plays an important role on flow and temperature as well as species distribution. Therefore, the flow cannot be assumed either as fully developed or as plug flow. There is a small but strong thermal expansion zone between the wall and the entrance. Both diffusion and convection affect the heat and mass transfer processes in the expansion zone. Thus the equations of momentum, energy and species conservations should be used to describe hydrogen/air combustion in the monolith reactor. The hot-spot location and concentration field of the homogeneous combustion is strongly influenced by the inlet velocity and temperature, and the equivalence ratio. The catalytic combustion of premixed hydrogen/air mixture over platinum catalyst-coated wall in a cylindrical channel was also simulated.展开更多
Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely orien...Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption.展开更多
The emerging two-dimensional(2D)membranes offer a promising way to improve the water desalination performance of traditional membranes.MXene/graphene oxide(GO) composite membrane are known for their high separation pe...The emerging two-dimensional(2D)membranes offer a promising way to improve the water desalination performance of traditional membranes.MXene/graphene oxide(GO) composite membrane are known for their high separation performance and structural stability.In this study,molecular simulations are performed to investigate the desalination performance of the 2D MXene/GO membrane.The results reveal that the surface of the MXene nanosheet could induce the formation of ordered water structures,thereby accelerating the water transport in the 2D membrane.The higher rejection rate would be found in MXene/GO membrane with a larger GO oxidation degree owing to the sterichindrance effect induced by the functional groups on the GO surface.Overall,the MXene/GO(20) membrane with the interlayer spacing of 0.9 nm shows the highest water permeability(37.22×10^(-7)L·m^(-1)·h^(-1)·bar^(-1),1 bar=0.1 MPa)and a salt rejection of 100%.The results could provide theoretical insights for developing 2D membranes for water desalination.展开更多
Simulating U(1) quantum gauge theories with spatial dimensions greater than one is of great physical significance. Here we propose a simple realization of U(1) gauge theory with Rydberg and Rydberg-dressed atom arrays...Simulating U(1) quantum gauge theories with spatial dimensions greater than one is of great physical significance. Here we propose a simple realization of U(1) gauge theory with Rydberg and Rydberg-dressed atom arrays. Within the experimentally accessible range, we find that the various aspects of the U(1) gauge theory can be well simulated, such as the emergence of topological sectors, incommensurability, and the Rokhsar–Kivelson point that hosts deconfined charge excitations and degenerate topological sectors. Our proposal is promising to implement experimentally and exhibits pronounced quantum dynamics.展开更多
A two-dimensional Reynolds-averaged Navier-Stokes solver is applied to analyze the aerodynamic behavior of the Shock/Boundary-Layer interaction of rocket with a boosted The K-ε turbulence model and a finite volume m...A two-dimensional Reynolds-averaged Navier-Stokes solver is applied to analyze the aerodynamic behavior of the Shock/Boundary-Layer interaction of rocket with a boosted The K-ε turbulence model and a finite volume method in a unstructured body-fitted curvilinear coordinates have been used. The results indicate that the separation and the reattachment occur in the Boundary-Layer of the main rocket because of the shock interaction. The shape of the booster nose effects the flow field obviously. In the case of the hemisphere booster nose the pressure has complicate distributions and the separation is very clear. The distance between the booster and main rocket has the evident effect on the flow field. If the distance is smaller the pressure coefficient is bigger the separation zone even the separation bubble occurs.展开更多
UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechani...UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechanical properties are unclear.Molecular dynamics simulations are valuable but often limited by computational constraints.Our aim is to simulate higher molecular weights to better represent real UHMWPE fibers.We used Packmol and Polyply methodologies to construct PE systems,with Polyply reproducing more reasonable properties of UHMWPE fibers.Additionally,tensile simulations showed that orientation and crystallinity greatly impact Young's modulus more than molecular weight.Energy decomposition indicated that higher molecular weights lead to covalent bonds that can withstand more energy during stretching,thus increasing breaking strength.Combining simulations with machine learning,we found that orientation has the most significant impact on Young's modulus,contributing 60%,and molecular weight plays the most crucial role in determining the breaking strength,accounting for 65%.This study provides a theoretical basis and guidelines for enhancing UHMWPE's modulus and strength.展开更多
AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered i...AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered in this model. Then the two-dimensional conduction band and electron distribution, electron temperature characteristics, Id versus Vd and Id versus Vg, transfer characteristics and transconductance curves are obtained. Corresponding analysis and discussion based on the simulation results are subsequently given.展开更多
The two-dimensional grating serves as a critical component in plane grating interferometers for achieving high-precision multidimensional displacement measurements.The calibration of grating groove density and orthogo...The two-dimensional grating serves as a critical component in plane grating interferometers for achieving high-precision multidimensional displacement measurements.The calibration of grating groove density and orthogonality error of grating grooves not only improves the positioning accuracy of grating interferometers but also provides essential feedback for optimizing two-dimensional grating fabrication.This study proposes a method for simultaneous calibration of these parameters using orthogonal heterodyne laser interferometry.A two-dimensional grating interferometer is built with the grating to be measured,and a biaxial laser interferometer provides a displacement reference for it.The phase mapping relationship between grating interference and laser interference is established.The interference phase information obtained by any two displacements can simultaneously solve the above three parameters and obtain the grating installation error.The feasibility of the proposed method is verified by using a 1200 gr/mm two-dimensional grating.The standard deviation of the grating groove density in the X and Y directions is 0.012 gr/mm and 0.014 gr/mm,respectively.The standard deviation of the orthogonality error of grating grooves is 0.004°,and the standard deviation of the installation error is 0.002°.Compared with the atomic force microscope method,the consistency of the grating groove density in the X and Y directions is better than 0.03 gr/mm and 0.06 gr/mm,and the orthogonality error of grating grooves is better than 0.008°.The experimental results show that the proposed method can be simply and efficiently applied to the calibration of the grating line parameters of the two-dimensional grating.展开更多
Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under diff...Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under different deposition rates and grain orientations.The evolution of grain morphology and grain orientation was also taken into consideration.Simulation results show that at lower deposition rates,the surface of the formed Ti film exhibits a distinct oriented texture structure.The surface roughness of the Ti film is positively correlated with the grain misorientation.Moreover,the surface roughness obtained from the simulation is in good agreement with the experiment results.展开更多
The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the...The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.展开更多
基金Supported by the Fundamental Research Funds in Heilongjiang Provincial Universities of China under Grant No 135209312
文摘A two-dimensional self-consistent fluid model is employed to investigate radio-frequency process parameters on the plasma properties in Ar microdischarges. The neutral gas density and temperature balance equations are taken into account. We mainly investigate the effect of the electrode gap on the spatial distribution of the electron density and electron temperature profiles, due to a mode transition from the regime（secondary electrons emission is responsible for the significant ionization） to the regime（sheath oscillations and bulk electrons are responsible for sustaining discharge） induced by a sudden decrease of electron density and electron temperature.The pressure, radio-frequency sources frequency and voltage effects on the electron density are also elaborately investigated.
基金supported by the National Natural Science Foundation of China(Grant Nos.11104319,11274346,51202285,61234005,51172268,51602340,61274059,and 51402347)the Solar Energy Action Plan of Chinese Academy of Sciences(Grant Nos.Y1YT064001,Y1YF034001,and Y2YF014001)+2 种基金the Graduate and College Student’s Innovative Project(Grant No.YC2016-X19)the Project of Beijing Municipal Science and Technology Commission(Grant No.Z151100003515003)the Opening Project of Key Laboratory of Microelectronics Devices&Integrated Technology,Institute of Microelectronics,Chinese Academy of Sciences
文摘Interdigitated back contact（IBC） solar cells can achieve a very high efficiency due to its less optical losses. But IBC solar cells demand for high quality passivation of the front surface. In this paper, a polycrystalline silicon/SiO_2 stack structure as front surface field to passivate the front surface of IBC solar cells is proposed. The passivation quality of this structure is investigated by two dimensional simulations. Polycrystalline silicon layer and SiO_2 layer are optimized to get the best passivation quality of the IBC solar cell. Simulation results indicate that the doping level of polycrystalline silicon should be high enough to allow a very thin polycrystalline silicon layer to ensure an effective passivation and small optical losses at the same time. The thickness of SiO_2 should be neither too thin nor too thick, and the optimal thickness is 1.2 nm.Furthermore, the lateral transport properties of electrons are investigated, and the simulation results indicate that a high doping level and conductivity of polycrystalline silicon can improve the lateral transportation of electrons and then the cell performance.
文摘Guiding wall is used to change the flow of the oxidation ditch as supporting structure, it widely uses eccentric setting, and its setting parameters are mostly empirical judgments. According to fluent software that simulates the velocity distribution of the guiding wall, to discuss the settings of the guiding wall in different length of downstream extension, eccentricity and guiding wall radius, so to work out its optimized settings.
基金supported by National Natural Science Foundation of China (Nos.10635010,10572035)
文摘The characteristics of a collisional dual frequency （DF） sheath near an electrode with a cylindrical hole are studied by utilizing a two-dimensional model which includes time-dependent fluid equations coupled with the Poisson equation and an equivalent-circuit model, The effects of the gas pressure on the two-dimensional profiles of the potential, electric field, ion fluid velocity in a DF sheath are investigated. The simulation results show that the cylindrical hole on the electrode has a significant influence on the DF sheath structure, i.e., the sheath profile tends to wrap around the contour of the hole feature. Moreover, it is shown that the structure of the DF sheath is different from that of a single frequency （SF） sheath because the profile of the DF sheath is modulated by the combination of the high and low frequency sources. In addition the characteristics of the DF sheath are obviously affected by the collisional effects in the DF sheath.
基金supported by National Natural Science Foundation of China(No.50877003)
文摘A two-dimensional model of a weakly-ionized hydrogen direct-current （DC） discharge at low pressure is simulated. In the model, the metal electron overflow and secondary electron emission coefficient at the cathode spot axe introduced to represent the relationship between the electron and ion density, and the electron energy distribution function is expressed by kinetic theory. The electron current density and reaction constant reasonably set on the boundary are discussed. It is determined that 11 collision reactions play a major role in low pressure and weakly ionized hydrogen discharge. On this basis, the relationship between mobility, electrode spacing, and breakdown voltage is verified. Good agreement is achieved between the simulation curve and Paschen curve.
基金Foundation item: Partially supported by the Key Laboratory of Multiphase Reaction of the Chinese Academy of Sciences State Key of Coal Conversion of the Chinese Academy of Sciences
文摘Recent studies on hydrogen combustion were reviewed briefly. The laminar flow and combustion of premixed hydrogen/air mixture in a cylindrical channel of a monolith reactor with and without catalytic wall was numerically modeled by solving two-dimensional (2-D) Navier-Stokes (N-S) equations, energy equation, and species equations. Eight gas species and twenty reversible gas reactions were considered. The control volume technique and the SIMPLE algorithm were used to solve the partial differential equations. The streamlines of the flow field, temperature contours, the entrance length, and the concentration fields were computed. It is found that the entrance zone plays an important role on flow and temperature as well as species distribution. Therefore, the flow cannot be assumed either as fully developed or as plug flow. There is a small but strong thermal expansion zone between the wall and the entrance. Both diffusion and convection affect the heat and mass transfer processes in the expansion zone. Thus the equations of momentum, energy and species conservations should be used to describe hydrogen/air combustion in the monolith reactor. The hot-spot location and concentration field of the homogeneous combustion is strongly influenced by the inlet velocity and temperature, and the equivalence ratio. The catalytic combustion of premixed hydrogen/air mixture over platinum catalyst-coated wall in a cylindrical channel was also simulated.
基金supported by the National Natural Science Foundation of China (Grant No.11574244 for G.Y.G.)the XJTU Research Fund for AI Science (Grant No.2025YXYC011 for G.Y.G.)the Hong Kong Global STEM Professorship Scheme (for X.C.Z.)。
文摘Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption.
基金supported by the National Natural Science Foundation of China(22078251,21706197)the Open Project of Hubei Key Laboratory of Novel Reactor and Green Chemical Technology(NRG202407)+1 种基金the Ministry-of-Education,Key Laboratory for the Synthesis and Application of Organic Functional Molecules(KLSAOFM2511)the Graduate Innovative Fund of Wuhan Institute of Technology(CX2023024)。
文摘The emerging two-dimensional(2D)membranes offer a promising way to improve the water desalination performance of traditional membranes.MXene/graphene oxide(GO) composite membrane are known for their high separation performance and structural stability.In this study,molecular simulations are performed to investigate the desalination performance of the 2D MXene/GO membrane.The results reveal that the surface of the MXene nanosheet could induce the formation of ordered water structures,thereby accelerating the water transport in the 2D membrane.The higher rejection rate would be found in MXene/GO membrane with a larger GO oxidation degree owing to the sterichindrance effect induced by the functional groups on the GO surface.Overall,the MXene/GO(20) membrane with the interlayer spacing of 0.9 nm shows the highest water permeability(37.22×10^(-7)L·m^(-1)·h^(-1)·bar^(-1),1 bar=0.1 MPa)and a salt rejection of 100%.The results could provide theoretical insights for developing 2D membranes for water desalination.
基金supported by the National Key Research and Development Program of China (Grant Nos. 2022YFA1404204 and 2022YFA1403700)the National Natural Science Foundation of China (Grant Nos. 12274086, 11534001 and 11925402)+5 种基金funding from the National Science Foundation of China (Grant Nos. 12274046, 11874094, 12147102, and 12347101)Chongqing Natural Science Foundation (Grant No. CSTB2022NSCQ-JQX0018)the Fundamental Research Funds for the Central Universities (Grant No. 2021CDJZYJH-003)Xiaomi Foundation/Xiaomi Young Talents Programthe supports of the start-up funding of Westlake Universitysupport from the Natural Sciences and Engineering Research Council of Canada (NSERC) through Discovery Grants。
文摘Simulating U(1) quantum gauge theories with spatial dimensions greater than one is of great physical significance. Here we propose a simple realization of U(1) gauge theory with Rydberg and Rydberg-dressed atom arrays. Within the experimentally accessible range, we find that the various aspects of the U(1) gauge theory can be well simulated, such as the emergence of topological sectors, incommensurability, and the Rokhsar–Kivelson point that hosts deconfined charge excitations and degenerate topological sectors. Our proposal is promising to implement experimentally and exhibits pronounced quantum dynamics.
文摘A two-dimensional Reynolds-averaged Navier-Stokes solver is applied to analyze the aerodynamic behavior of the Shock/Boundary-Layer interaction of rocket with a boosted The K-ε turbulence model and a finite volume method in a unstructured body-fitted curvilinear coordinates have been used. The results indicate that the separation and the reattachment occur in the Boundary-Layer of the main rocket because of the shock interaction. The shape of the booster nose effects the flow field obviously. In the case of the hemisphere booster nose the pressure has complicate distributions and the separation is very clear. The distance between the booster and main rocket has the evident effect on the flow field. If the distance is smaller the pressure coefficient is bigger the separation zone even the separation bubble occurs.
基金financially supported by the National Natural Science Foundation of China(Nos.52303298 and 52233002)。
文摘UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechanical properties are unclear.Molecular dynamics simulations are valuable but often limited by computational constraints.Our aim is to simulate higher molecular weights to better represent real UHMWPE fibers.We used Packmol and Polyply methodologies to construct PE systems,with Polyply reproducing more reasonable properties of UHMWPE fibers.Additionally,tensile simulations showed that orientation and crystallinity greatly impact Young's modulus more than molecular weight.Energy decomposition indicated that higher molecular weights lead to covalent bonds that can withstand more energy during stretching,thus increasing breaking strength.Combining simulations with machine learning,we found that orientation has the most significant impact on Young's modulus,contributing 60%,and molecular weight plays the most crucial role in determining the breaking strength,accounting for 65%.This study provides a theoretical basis and guidelines for enhancing UHMWPE's modulus and strength.
文摘AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered in this model. Then the two-dimensional conduction band and electron distribution, electron temperature characteristics, Id versus Vd and Id versus Vg, transfer characteristics and transconductance curves are obtained. Corresponding analysis and discussion based on the simulation results are subsequently given.
文摘The two-dimensional grating serves as a critical component in plane grating interferometers for achieving high-precision multidimensional displacement measurements.The calibration of grating groove density and orthogonality error of grating grooves not only improves the positioning accuracy of grating interferometers but also provides essential feedback for optimizing two-dimensional grating fabrication.This study proposes a method for simultaneous calibration of these parameters using orthogonal heterodyne laser interferometry.A two-dimensional grating interferometer is built with the grating to be measured,and a biaxial laser interferometer provides a displacement reference for it.The phase mapping relationship between grating interference and laser interference is established.The interference phase information obtained by any two displacements can simultaneously solve the above three parameters and obtain the grating installation error.The feasibility of the proposed method is verified by using a 1200 gr/mm two-dimensional grating.The standard deviation of the grating groove density in the X and Y directions is 0.012 gr/mm and 0.014 gr/mm,respectively.The standard deviation of the orthogonality error of grating grooves is 0.004°,and the standard deviation of the installation error is 0.002°.Compared with the atomic force microscope method,the consistency of the grating groove density in the X and Y directions is better than 0.03 gr/mm and 0.06 gr/mm,and the orthogonality error of grating grooves is better than 0.008°.The experimental results show that the proposed method can be simply and efficiently applied to the calibration of the grating line parameters of the two-dimensional grating.
基金National MCF Energy R&D Program of China(2018YFE0306100)Natural Science Foundation of Hunan Province for Distinguished Young Scholars(2021JJ10062)+1 种基金National Natural Science Foundation of China(52101028)China Postdoctoral Science Foundation(2021M703628)。
文摘Combining the phase-field method and the moving boundary method,a three-dimensional phase-field simulation was conducted for the growth and grain evolution of Ti films deposited by physical vapor deposition under different deposition rates and grain orientations.The evolution of grain morphology and grain orientation was also taken into consideration.Simulation results show that at lower deposition rates,the surface of the formed Ti film exhibits a distinct oriented texture structure.The surface roughness of the Ti film is positively correlated with the grain misorientation.Moreover,the surface roughness obtained from the simulation is in good agreement with the experiment results.
基金National Natural Science Foundation of China(12372152)Guangdong Basic and Applied Basic Research Foundation(2023A1515011819,2024A1515012469)Shandong Provincial Natural Science Foundation(ZR2023MA058)。
文摘The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.
