We revisit the harmonic approximation (HA) for a large Josephson junction interacting with some charge qubits through the variational approach for the quantum dynamics of the junction-qubit coupling system. By making ...We revisit the harmonic approximation (HA) for a large Josephson junction interacting with some charge qubits through the variational approach for the quantum dynamics of the junction-qubit coupling system. By making use of numerical calculation and analytical treatment, the conditions under which HA works well can be precisely presented to control the parameters implementing the two-qubit quantum logical gate through the couplings to the large junction with harmonic oscillator Hamiltonian.展开更多
As an emerging molecular imaging modality,cone-beam X-ray luminescence computed tomog-raphy(CB-XLCT)uses X-ray-excitable probes to produce near-infrared(NIR)luminescence and then reconst ructs three-dimensional(3D)dis...As an emerging molecular imaging modality,cone-beam X-ray luminescence computed tomog-raphy(CB-XLCT)uses X-ray-excitable probes to produce near-infrared(NIR)luminescence and then reconst ructs three-dimensional(3D)distribution of the probes from surface measurements.A proper photon-transportation model is critical to accuracy of XLCT.Here,we presented a systematic comparison between the common-used Monte Carlo model and simplified spherical harmonics(SPN).The performance of the two methods was evaluated over several main spec-trums using a known XLCT material.We designed both a global measurement based on the cosine similarity and a locally-averaged relative error,to quantitatively assess these methods.The results show that the SP_(3) could reach a good balance between the modeling accuracy and computational efficiency for all of the tested emission spectrums.Besides,the SP_(1)(which is equivalent to the difusion equation(DE))can be a reasonable alternative model for emission wavelength over 692nm.In vivo experiment further demonstrates the reconstruction perfor-mance of the SP:and DE.This study would provide a valuable guidance for modeling the photon-transportation in CB-XLCT.展开更多
This article is a improvement on author＇s early work （Acta Mathematica Scientia, Vol.30 No.2 Ser.A 2010）. In this article, there are two new contributions： 1） The restrictive conditions on approximation domain bo...This article is a improvement on author＇s early work （Acta Mathematica Scientia, Vol.30 No.2 Ser.A 2010）. In this article, there are two new contributions： 1） The restrictive conditions on approximation domain boundary is improved essentially. 2） The Fejer points is extended by perturbed Fejer points with stable order of approximation.展开更多
Due to wear and manufacturing tolerance,the freeplay is unavoidable in the hinges of folding fins,which exerts significant effects on the aerodynamic characteristics.This paper proposes a backbone-curve-based framewor...Due to wear and manufacturing tolerance,the freeplay is unavoidable in the hinges of folding fins,which exerts significant effects on the aerodynamic characteristics.This paper proposes a backbone-curve-based framework for the dynamical identification of folding fins containing the freeplay nonlinearity.With no need to measure the input force signal and the response signals of nonlinear related Degrees of Freedom(DOFs),the proposed method is more direct and elegant than most existing nonlinear identification approaches,and it contains three steps:Firstly,the underlying linear model of the folding fin structure is obtained through the modal test on its linear sub-parts,and then,the harmonic approximation solves the analytical expressions of the backbone curves of measurable DOFs.Secondly,response data measured from the sine-sweep test are used to extract the fitting points of backbone curves for these DOFs.Finally,the curve fitting approach is applied to identify the freeplay parameters.A series of numerical experiments verify the effectiveness of the proposed method.A real-life folding fin structure is also employed to illustrate how the method can be applied.These examples demonstrate that the identification framework can give an accurate dynamic model of the folding fin structure.展开更多
Quantum nuclear effects and anharmonicity impact a wide range of functional materials and their properties.One of the most powerful techniques to model these effects is the Stochastic Self-Consistent Harmonic Approxim...Quantum nuclear effects and anharmonicity impact a wide range of functional materials and their properties.One of the most powerful techniques to model these effects is the Stochastic Self-Consistent Harmonic Approximation(SSCHA).Unfortunately,the SSCHA is extremely computationally expensive,prohibiting its routine use.We propose a protocol that pairs machine learning interatomic potentials,which can be tailored for the system at hand via active learning,with the SSCHA.Our method leverages an upscaling procedure that allows for the treatment of supercells of up to thousands of atoms with practically minimal computational effort.The protocol is applied to PdCuH_(x)(x=0−2)compounds,chosen because previous experimental studies have reported superconducting critical temperatures,Tcs,as high as 17 K at ambient pressures in an unknown hydrogenated PdCu phase.We identify a P4/mmm PdCuH_(2)structure,which is shown to be dynamically stable only upon the inclusion of quantum fluctuations,as being a key contributor to the measured superconductivity.For this system,our methodology is able to reduce the computational expense for the SSCHA calculations by~96%.The proposed protocol opens the door towards the routine inclusion of quantum nuclear motion and anharmonicity in materials discovery.展开更多
Accurate first-principles prediction of lattice thermal conductivity(κ_(L))remains challenging in identifying materials with extreme thermal behavior.While the harmonic approximation with threephonon scattering(HA+3p...Accurate first-principles prediction of lattice thermal conductivity(κ_(L))remains challenging in identifying materials with extreme thermal behavior.While the harmonic approximation with threephonon scattering(HA+3ph)is now routine,reliableκ_(L)prediction often requires higher-order anharmonic effects,including self-consistent phonon renormalization,three-and four-phonon scattering,and off-diagonal heat flux(SCPH+3,4ph+OD).We present a state-of-the-art highthroughput workflow that unifies these effects and apply it to 773 cubic and tetragonal crystals spanning diverse chemistries and structures.From 562 dynamically stable compounds,weassess the hierarchical impacts of higher-order anharmonicity.For around 60%of materials,HA+3ph predictions closely match those from SCPH+3,4ph+OD.SCPH generally increasesκ_(L),by over 8 times in extreme cases,whereas four-phonon scattering universally suppressesκ_(L),sometimes to 15%of the HA+3ph value.Off-diagonal contributions are negligible in high-κ_(L)systems but can rival diagonal terms in highly anharmonic low-κ_(L)compounds.We highlight four case studies,Rb_(2)TlAlH_(6),Cu_(3)VSe_(4),CuBr,and KTlCl_(4),that exhibit distinct extreme behaviors.This work delivers not only a robust workflow for high-fidelityκ_(L)dataset but also a quantitative framework to determine when higher-order effects are essential.The hierarchy ofκ_(L)results,from the HA+3ph to SCPH+3,4ph+OD level,offers a scalable,interpretable route to discovering next-generation extreme thermal materials.展开更多
For low power dielectric barrier discharge （DBD） used in small-size material treatment or portable devices, high- step transformer parasitic capacitance greatly influences the performance of the resonant converter a...For low power dielectric barrier discharge （DBD） used in small-size material treatment or portable devices, high- step transformer parasitic capacitance greatly influences the performance of the resonant converter as it is of the same order of magnitude as the equivalent capacitance of DBD load. In this paper, steady-state analysis of the low power DBD is presented, considering the inevitable parasitic capacitance of the high-step transformer. The rectifier-compensated first harmonic approxi- mation （RCFHA） is applied to linearize the equivalent load circuit of DBD at low frequency and the derived expressions are accurate and convenient for the analysis and design of the power supply. Based on the proposed linear equivalent load circuit, the influence of transformer parasitic capacitance on the key parameters, including the frequency range and the applied electrode voltage, is discussed when the power is regulated with pulse frequency modulation （PFM）. Also, a design procedure is presented based on the derived expressions. A prototype is constructed according to the design results and the accuracy of the design is verified by experimental results.展开更多
A solution to the linear Boltzmann equation satisfies an energy bound,which reflects a natural fact:The energy of particles in a finite volume is bounded in time by the energy of particles initially occupying the volu...A solution to the linear Boltzmann equation satisfies an energy bound,which reflects a natural fact:The energy of particles in a finite volume is bounded in time by the energy of particles initially occupying the volume augmented by the energy transported into the volume by particles entering the volume over time.In this paper,we present boundary conditions(BCs)for the spherical harmonic(P_(N))approximation,which ensure that this fundamental energy bound is satisfied by the P_(N) approximation.Our BCs are compatible with the characteristic waves of P_(N) equations and determine the incoming waves uniquely.Both,energy bound and compatibility,are shown on abstract formulations of P_(N) equations and BCs to isolate the necessary structures and properties.The BCs are derived from a Marshak type formulation of BC and base on a non-classical even/odd-classification of spherical harmonic functions and a stabilization step,which is similar to the truncation of the series expansion in the P_(N) method.We show that summation by parts(SBP)finite differences on staggered grids in space and the method of simultaneous approximation terms(SAT)allows to maintain the energy bound also on the semi-discrete level.展开更多
基金the Cooperation Foundation of Nankai University，Tianjin University for research of nanoscience，国家自然科学基金
文摘We revisit the harmonic approximation (HA) for a large Josephson junction interacting with some charge qubits through the variational approach for the quantum dynamics of the junction-qubit coupling system. By making use of numerical calculation and analytical treatment, the conditions under which HA works well can be precisely presented to control the parameters implementing the two-qubit quantum logical gate through the couplings to the large junction with harmonic oscillator Hamiltonian.
基金the School of Life Science and Technology of Xidian University for providing experimental data acquisition system.This work was supported by the National Natural Science Foundation of China under Grant(Nos.61372046,61401264,11571012,61601363,61640418,61572400)the Science and Technology Plan Program in Shaanxi Province of China under Grant(Nos.2013K12-20-12,2015KW-002)+2 种基金the Natural Science Research Plan Program in Shaanxi Province of China under Grant(No.2015JM6322)the Scienti¯c Research Founded by Shaanxi Provincial Education Department under Grant No.16JK1772the Scienti¯c Research Foundation of Northwest University under Grant Nos.338050018 and 338020012.
文摘As an emerging molecular imaging modality,cone-beam X-ray luminescence computed tomog-raphy(CB-XLCT)uses X-ray-excitable probes to produce near-infrared(NIR)luminescence and then reconst ructs three-dimensional(3D)distribution of the probes from surface measurements.A proper photon-transportation model is critical to accuracy of XLCT.Here,we presented a systematic comparison between the common-used Monte Carlo model and simplified spherical harmonics(SPN).The performance of the two methods was evaluated over several main spec-trums using a known XLCT material.We designed both a global measurement based on the cosine similarity and a locally-averaged relative error,to quantitatively assess these methods.The results show that the SP_(3) could reach a good balance between the modeling accuracy and computational efficiency for all of the tested emission spectrums.Besides,the SP_(1)(which is equivalent to the difusion equation(DE))can be a reasonable alternative model for emission wavelength over 692nm.In vivo experiment further demonstrates the reconstruction perfor-mance of the SP:and DE.This study would provide a valuable guidance for modeling the photon-transportation in CB-XLCT.
基金supported by NSF of Henan Province P. R. China(974050900)
文摘This article is a improvement on author＇s early work （Acta Mathematica Scientia, Vol.30 No.2 Ser.A 2010）. In this article, there are two new contributions： 1） The restrictive conditions on approximation domain boundary is improved essentially. 2） The Fejer points is extended by perturbed Fejer points with stable order of approximation.
基金financial supports from the Fundamental Research Funds for the Central Universities, China (No. HIT. NSRIF. 2020014)the National Natural Science Foundation of China (No. 12102103)
文摘Due to wear and manufacturing tolerance,the freeplay is unavoidable in the hinges of folding fins,which exerts significant effects on the aerodynamic characteristics.This paper proposes a backbone-curve-based framework for the dynamical identification of folding fins containing the freeplay nonlinearity.With no need to measure the input force signal and the response signals of nonlinear related Degrees of Freedom(DOFs),the proposed method is more direct and elegant than most existing nonlinear identification approaches,and it contains three steps:Firstly,the underlying linear model of the folding fin structure is obtained through the modal test on its linear sub-parts,and then,the harmonic approximation solves the analytical expressions of the backbone curves of measurable DOFs.Secondly,response data measured from the sine-sweep test are used to extract the fitting points of backbone curves for these DOFs.Finally,the curve fitting approach is applied to identify the freeplay parameters.A series of numerical experiments verify the effectiveness of the proposed method.A real-life folding fin structure is also employed to illustrate how the method can be applied.These examples demonstrate that the identification framework can give an accurate dynamic model of the folding fin structure.
基金Funding for this research is provided by the National Science Foundation,under award DMR-2136038Calculations were performed at the Center for Computational Research at SUNY Buffalo(http://hdl.handle.net/10477/79221).
文摘Quantum nuclear effects and anharmonicity impact a wide range of functional materials and their properties.One of the most powerful techniques to model these effects is the Stochastic Self-Consistent Harmonic Approximation(SSCHA).Unfortunately,the SSCHA is extremely computationally expensive,prohibiting its routine use.We propose a protocol that pairs machine learning interatomic potentials,which can be tailored for the system at hand via active learning,with the SSCHA.Our method leverages an upscaling procedure that allows for the treatment of supercells of up to thousands of atoms with practically minimal computational effort.The protocol is applied to PdCuH_(x)(x=0−2)compounds,chosen because previous experimental studies have reported superconducting critical temperatures,Tcs,as high as 17 K at ambient pressures in an unknown hydrogenated PdCu phase.We identify a P4/mmm PdCuH_(2)structure,which is shown to be dynamically stable only upon the inclusion of quantum fluctuations,as being a key contributor to the measured superconductivity.For this system,our methodology is able to reduce the computational expense for the SSCHA calculations by~96%.The proposed protocol opens the door towards the routine inclusion of quantum nuclear motion and anharmonicity in materials discovery.
基金support from the U.S. Department of Energy, Office of Science Basic Energy Sciences under grant DE-SC0024256. H. L. and Y. X. acknowledge the support from the US National Science Foundation through awards DMR-2317008+3 种基金. Y. X. also acknowledges the support from the Faculty Development Program at Portland State University. C.W. acknowledges support from the National Science Foundation (NSF) through award 2311203Z. L. and C. W. acknowledge computational resources from the National Energy Research Scientific Computing Center (NERSC) through award ERCAP0031557This research was supported in part through the computational resources and staff contributions provided for the Quest high performance computing facility at Northwestern University which is jointly supported by the Office of the Provost, the Office for Research, and Northwestern University Information Technology. We acknowledge the computing resources provided by Bridges2 at Pittsburgh Supercomputing Center (PSC) through allocations mat220006p, mat220008p, and dmr160027p from the Advanced Cyber-infrastructure Coordination Ecosystem: ServicesSupport (ACCESS) program, which is supported by National Science Foundation grants 2138259, 2138286, 2138307, 2137603, and 2138296.
文摘Accurate first-principles prediction of lattice thermal conductivity(κ_(L))remains challenging in identifying materials with extreme thermal behavior.While the harmonic approximation with threephonon scattering(HA+3ph)is now routine,reliableκ_(L)prediction often requires higher-order anharmonic effects,including self-consistent phonon renormalization,three-and four-phonon scattering,and off-diagonal heat flux(SCPH+3,4ph+OD).We present a state-of-the-art highthroughput workflow that unifies these effects and apply it to 773 cubic and tetragonal crystals spanning diverse chemistries and structures.From 562 dynamically stable compounds,weassess the hierarchical impacts of higher-order anharmonicity.For around 60%of materials,HA+3ph predictions closely match those from SCPH+3,4ph+OD.SCPH generally increasesκ_(L),by over 8 times in extreme cases,whereas four-phonon scattering universally suppressesκ_(L),sometimes to 15%of the HA+3ph value.Off-diagonal contributions are negligible in high-κ_(L)systems but can rival diagonal terms in highly anharmonic low-κ_(L)compounds.We highlight four case studies,Rb_(2)TlAlH_(6),Cu_(3)VSe_(4),CuBr,and KTlCl_(4),that exhibit distinct extreme behaviors.This work delivers not only a robust workflow for high-fidelityκ_(L)dataset but also a quantitative framework to determine when higher-order effects are essential.The hierarchy ofκ_(L)results,from the HA+3ph to SCPH+3,4ph+OD level,offers a scalable,interpretable route to discovering next-generation extreme thermal materials.
基金supported by the National Natural Science Foundation of China(No.51107115)the China Postdoctoral Science Foundation(No.20110491766)
文摘For low power dielectric barrier discharge （DBD） used in small-size material treatment or portable devices, high- step transformer parasitic capacitance greatly influences the performance of the resonant converter as it is of the same order of magnitude as the equivalent capacitance of DBD load. In this paper, steady-state analysis of the low power DBD is presented, considering the inevitable parasitic capacitance of the high-step transformer. The rectifier-compensated first harmonic approxi- mation （RCFHA） is applied to linearize the equivalent load circuit of DBD at low frequency and the derived expressions are accurate and convenient for the analysis and design of the power supply. Based on the proposed linear equivalent load circuit, the influence of transformer parasitic capacitance on the key parameters, including the frequency range and the applied electrode voltage, is discussed when the power is regulated with pulse frequency modulation （PFM）. Also, a design procedure is presented based on the derived expressions. A prototype is constructed according to the design results and the accuracy of the design is verified by experimental results.
基金The authors acknowledge funding of the German Research Foundation(DFG)under grant TO 414/4-1.
文摘A solution to the linear Boltzmann equation satisfies an energy bound,which reflects a natural fact:The energy of particles in a finite volume is bounded in time by the energy of particles initially occupying the volume augmented by the energy transported into the volume by particles entering the volume over time.In this paper,we present boundary conditions(BCs)for the spherical harmonic(P_(N))approximation,which ensure that this fundamental energy bound is satisfied by the P_(N) approximation.Our BCs are compatible with the characteristic waves of P_(N) equations and determine the incoming waves uniquely.Both,energy bound and compatibility,are shown on abstract formulations of P_(N) equations and BCs to isolate the necessary structures and properties.The BCs are derived from a Marshak type formulation of BC and base on a non-classical even/odd-classification of spherical harmonic functions and a stabilization step,which is similar to the truncation of the series expansion in the P_(N) method.We show that summation by parts(SBP)finite differences on staggered grids in space and the method of simultaneous approximation terms(SAT)allows to maintain the energy bound also on the semi-discrete level.
