Shear deformation mechanisms of diamond-like carbon(DLC)are commonly unclear since its thickness of several micrometers limits the detailed analysis of its microstructural evolution and mechanical performance,which fu...Shear deformation mechanisms of diamond-like carbon(DLC)are commonly unclear since its thickness of several micrometers limits the detailed analysis of its microstructural evolution and mechanical performance,which further influences the improvement of the friction and wear performance of DLC.This study aims to investigate this issue utilizing molecular dynamics simulation and machine learning(ML)techniques.It is indicated that the changes in the mechanical properties of DLC are mainly due to the expansion and reduction of sp3 networks,causing the stick-slip patterns in shear force.In addition,cluster analysis showed that the sp2-sp3 transitions arise in the stick stage,while the sp3-sp2 transitions occur in the slip stage.In order to analyze the mechanisms governing the bond breaking/re-formation in these transitions,the Random Forest(RF)model in ML identifies that the kinetic energies of sp3 atoms and their velocities along the loading direction have the highest influence.This is because high kinetic energies of atoms can exacerbate the instability of the bonding state and increase the probability of bond breaking/re-formation.Finally,the RF model finds that the shear force of DLC is highly correlated to its potential energy,with less correlation to its content of sp3 atoms.Since the changes in potential energy are caused by the variances in the content of sp3 atoms and localized strains,potential energy is an ideal parameter to evaluate the shear deformation of DLC.The results can enhance the understanding of the shear deformation of DLC and support the improvement of its frictional and wear performance.展开更多
In the present work we study the Hamiltonian, path integral and BRST formulations of the Chern-Simons-Higgs theory in two-space one-time dimensions, in the so-called broken symmetry phase of the Higgs potential (where...In the present work we study the Hamiltonian, path integral and BRST formulations of the Chern-Simons-Higgs theory in two-space one-time dimensions, in the so-called broken symmetry phase of the Higgs potential (where the phase φ(xμ) of the complex matter field Φ(xμ) carries the charge degree of freedom of the complex matter field and is akin to the Goldstone boson) on the light-front (i.e., on the hyperplanes defined by the fixed light-cone time). The theory is seen to possess a set of first-class constraints and the local vector gauge symmetry. The theory being gauge-invariant is quantized under appropriate gauge-fixing conditions. The explicit Hamiltonian and path integral quantization is achieved under the above light-cone gauges. The Heisenberg equations of motion of the system are derived for the physical degrees of freedom of the system. Finally the BRST quantization of the system is achieved under appropriate BRST gauge-fixing, where the BRST symmetry is maintained even under the BRST light-cone gauge-fixing.展开更多
A bounded confidence model of opinion dynamics in multi-group projects is presented in which each group＇s opinion evolution is driven by two types of forces：（i） the group＇s cohesive force which tends to restore t...A bounded confidence model of opinion dynamics in multi-group projects is presented in which each group＇s opinion evolution is driven by two types of forces：（i） the group＇s cohesive force which tends to restore the opinion back towards the initial status because of its company culture;and（ii） nonlinear coupling forces with other groups which attempt to bring opinions closer due to collaboration willingness.Bifurcation analysis for the case of a two-group project shows a cusp catastrophe phenomenon and three distinctive evolutionary regimes,i.e.,a deadlock regime,a convergence regime,and a bifurcation regime in opinion dynamics.The critical value of initial discord between the two groups is derived to discriminate which regime the opinion evolution belongs to.In the case of a three-group project with a symmetric social network,both bifurcation analysis and simulation results demonstrate that if each pair has a high initial discord,instead of symmetrically converging to consensus with the increase of coupling scale as expected by Gabbay＇s result（Physica A 378（2007） p.125 Fig.5）,project organization（PO） may be split into two distinct clusters because of the symmetry breaking phenomenon caused by pitchfork bifurcations,which urges that apart from divergence in participants＇ interests,nonlinear interaction can also make conflict inevitable in the PO.The effects of two asymmetric level parameters are tested in order to explore the ways of inducing dominant opinion in the whole PO.It is found that the strong influence imposed by a leader group with firm faith on the flexible and open minded follower groups can promote the formation of a positive dominant opinion in the PO.展开更多
A bounded confidence model of opinion dynamics in multi-group projects is presented in which each group’s opinion evolution is driven by two types of forces:(i) the group’s cohesive force which tends to restore the ...A bounded confidence model of opinion dynamics in multi-group projects is presented in which each group’s opinion evolution is driven by two types of forces:(i) the group’s cohesive force which tends to restore the opinion back towards the initial status because of its company culture;and(ii) nonlinear coupling forces with other groups which attempt to bring opinions closer due to collaboration willingness.Bifurcation analysis for the case of a two-group project shows a cusp catastrophe phenomenon and three distinctive evolutionary regimes,i.e.,a deadlock regime,a convergence regime,and a bifurcation regime in opinion dynamics.The critical value of initial discord between the two groups is derived to discriminate which regime the opinion evolution belongs to.In the case of a three-group project with a symmetric social network,both bifurcation analysis and simulation results demonstrate that if each pair has a high initial discord,instead of symmetrically converging to consensus with the increase of coupling scale as expected by Gabbay’s result(Physica A 378(2007) p.125 Fig.5),project organization(PO) may be split into two distinct clusters because of the symmetry breaking phenomenon caused by pitchfork bifurcations,which urges that apart from divergence in participants’ interests,nonlinear interaction can also make conflict inevitable in the PO.The effects of two asymmetric level parameters are tested in order to explore the ways of inducing dominant opinion in the whole PO.It is found that the strong influence imposed by a leader group with firm faith on the flexible and open minded follower groups can promote the formation of a positive dominant opinion in the PO.展开更多
We experimentally investigate Coulomb exploded directional double ionization of N2O molecules in elliptically polarized femtosecond laser pulses.The denitrogenation and deoxygenation channels are accessed via various ...We experimentally investigate Coulomb exploded directional double ionization of N2O molecules in elliptically polarized femtosecond laser pulses.The denitrogenation and deoxygenation channels are accessed via various pathways.It leads to distinct asymmetries in directional breaking of the doubly ionized N2O molecules versus the instantaneous laser field vector, which is revealed by tracing the sum-momentum spectra of the ionic fragments as a recoil of the ejected electrons.Our results demonstrate that the accessibility of the Coulomb exploded double ionization channels of N2O molecules are ruled by the detailed potential energy curves, and the directional emission of the fragments are governed by the joint effects of the electron localization-assisted enhanced ionization of the stretched molecules and the profiles of the molecular orbitals.展开更多
The H^++CO2 reaction at high energies is relevant in atmospheric chemistry,astrophysics,and proton cancer therapy research.Therefore,we present herein a complete investigation of H^++CO2 at ELab=30 eV with the simples...The H^++CO2 reaction at high energies is relevant in atmospheric chemistry,astrophysics,and proton cancer therapy research.Therefore,we present herein a complete investigation of H^++CO2 at ELab=30 eV with the simplest-level electron nuclear dynamics(SLEND)method.SLEND describes nuclei via classical mechanics and electrons with a singledeterminantal Thouless wavefunction.The 3402 SLEND conducted simulations from 42 independent CO2 target orientations provide a full description of all the reactive processes and their mechanisms in this system:non-charge-transfer scattering(NCTS),charge-transfer scattering(CTS),and single C=O bond dissociation;all this valuable information about reactivity is not accessible experimentally.Numerous details of the projectile scattering patterns are provided,including the appearance and coalescence of primary and secondary rainbow angles as a function of the target orientation.SLEND NCTS and CTS differential cross sections(DCSs)are evaluated in conjunction with advanced semi-classical techniques.SLEND NCTS DCS agrees well with its experimental counterpart at all the measured scattering angles,whereas SLEND CTS DCS agrees well at high scattering angles but less satisfactorily at lower ones.Remarkably,both NCTS and CTS SLEND DCSs predict the primary rainbow angle signatures in agreement with the experiment.展开更多
基金The simulations in this work are supported by the High-Performance Computing Center of Central South University.
文摘Shear deformation mechanisms of diamond-like carbon(DLC)are commonly unclear since its thickness of several micrometers limits the detailed analysis of its microstructural evolution and mechanical performance,which further influences the improvement of the friction and wear performance of DLC.This study aims to investigate this issue utilizing molecular dynamics simulation and machine learning(ML)techniques.It is indicated that the changes in the mechanical properties of DLC are mainly due to the expansion and reduction of sp3 networks,causing the stick-slip patterns in shear force.In addition,cluster analysis showed that the sp2-sp3 transitions arise in the stick stage,while the sp3-sp2 transitions occur in the slip stage.In order to analyze the mechanisms governing the bond breaking/re-formation in these transitions,the Random Forest(RF)model in ML identifies that the kinetic energies of sp3 atoms and their velocities along the loading direction have the highest influence.This is because high kinetic energies of atoms can exacerbate the instability of the bonding state and increase the probability of bond breaking/re-formation.Finally,the RF model finds that the shear force of DLC is highly correlated to its potential energy,with less correlation to its content of sp3 atoms.Since the changes in potential energy are caused by the variances in the content of sp3 atoms and localized strains,potential energy is an ideal parameter to evaluate the shear deformation of DLC.The results can enhance the understanding of the shear deformation of DLC and support the improvement of its frictional and wear performance.
文摘In the present work we study the Hamiltonian, path integral and BRST formulations of the Chern-Simons-Higgs theory in two-space one-time dimensions, in the so-called broken symmetry phase of the Higgs potential (where the phase φ(xμ) of the complex matter field Φ(xμ) carries the charge degree of freedom of the complex matter field and is akin to the Goldstone boson) on the light-front (i.e., on the hyperplanes defined by the fixed light-cone time). The theory is seen to possess a set of first-class constraints and the local vector gauge symmetry. The theory being gauge-invariant is quantized under appropriate gauge-fixing conditions. The explicit Hamiltonian and path integral quantization is achieved under the above light-cone gauges. The Heisenberg equations of motion of the system are derived for the physical degrees of freedom of the system. Finally the BRST quantization of the system is achieved under appropriate BRST gauge-fixing, where the BRST symmetry is maintained even under the BRST light-cone gauge-fixing.
基金Project supported by the National Natural Science Foundation of China （Grant No. 70831002） Humanity and Social Science Youth Foundation of Ministry of Education of China （Grant No. 12YJCZH017）
文摘A bounded confidence model of opinion dynamics in multi-group projects is presented in which each group＇s opinion evolution is driven by two types of forces：（i） the group＇s cohesive force which tends to restore the opinion back towards the initial status because of its company culture;and（ii） nonlinear coupling forces with other groups which attempt to bring opinions closer due to collaboration willingness.Bifurcation analysis for the case of a two-group project shows a cusp catastrophe phenomenon and three distinctive evolutionary regimes,i.e.,a deadlock regime,a convergence regime,and a bifurcation regime in opinion dynamics.The critical value of initial discord between the two groups is derived to discriminate which regime the opinion evolution belongs to.In the case of a three-group project with a symmetric social network,both bifurcation analysis and simulation results demonstrate that if each pair has a high initial discord,instead of symmetrically converging to consensus with the increase of coupling scale as expected by Gabbay＇s result（Physica A 378（2007） p.125 Fig.5）,project organization（PO） may be split into two distinct clusters because of the symmetry breaking phenomenon caused by pitchfork bifurcations,which urges that apart from divergence in participants＇ interests,nonlinear interaction can also make conflict inevitable in the PO.The effects of two asymmetric level parameters are tested in order to explore the ways of inducing dominant opinion in the whole PO.It is found that the strong influence imposed by a leader group with firm faith on the flexible and open minded follower groups can promote the formation of a positive dominant opinion in the PO.
基金Project supported by the National Natural Science Foundation of China (Grant No. 70831002)Humanity and Social Science Youth Foundation of Ministry of Education of China (Grant No. 12YJCZH017)
文摘A bounded confidence model of opinion dynamics in multi-group projects is presented in which each group’s opinion evolution is driven by two types of forces:(i) the group’s cohesive force which tends to restore the opinion back towards the initial status because of its company culture;and(ii) nonlinear coupling forces with other groups which attempt to bring opinions closer due to collaboration willingness.Bifurcation analysis for the case of a two-group project shows a cusp catastrophe phenomenon and three distinctive evolutionary regimes,i.e.,a deadlock regime,a convergence regime,and a bifurcation regime in opinion dynamics.The critical value of initial discord between the two groups is derived to discriminate which regime the opinion evolution belongs to.In the case of a three-group project with a symmetric social network,both bifurcation analysis and simulation results demonstrate that if each pair has a high initial discord,instead of symmetrically converging to consensus with the increase of coupling scale as expected by Gabbay’s result(Physica A 378(2007) p.125 Fig.5),project organization(PO) may be split into two distinct clusters because of the symmetry breaking phenomenon caused by pitchfork bifurcations,which urges that apart from divergence in participants’ interests,nonlinear interaction can also make conflict inevitable in the PO.The effects of two asymmetric level parameters are tested in order to explore the ways of inducing dominant opinion in the whole PO.It is found that the strong influence imposed by a leader group with firm faith on the flexible and open minded follower groups can promote the formation of a positive dominant opinion in the PO.
基金Project supported by the National Key R&D Program of China(Grant No.2018YFA0306303)the National Natural Science Fundation of China(Grant Nos.11425416,11834004,and 11761141004)the 111 Project of China(Grant No.B12024)
文摘We experimentally investigate Coulomb exploded directional double ionization of N2O molecules in elliptically polarized femtosecond laser pulses.The denitrogenation and deoxygenation channels are accessed via various pathways.It leads to distinct asymmetries in directional breaking of the doubly ionized N2O molecules versus the instantaneous laser field vector, which is revealed by tracing the sum-momentum spectra of the ionic fragments as a recoil of the ejected electrons.Our results demonstrate that the accessibility of the Coulomb exploded double ionization channels of N2O molecules are ruled by the detailed potential energy curves, and the directional emission of the fragments are governed by the joint effects of the electron localization-assisted enhanced ionization of the stretched molecules and the profiles of the molecular orbitals.
基金Present calculations were performed at the Texas Tech University High Performance Computer Center and the Texas Advanced Computing Center at the University of Texas at Austin.Prof.Morales acknowledges financial support from the Cancer Prevention and Research Institute of Texas(CPRIT)grant RP140478.Prof.Yan acknowledges the financial support from the National Natural Science Foundation of China(No.21373064)and the Program for Innovative Research Team of Guizhou Province(No.QKTD[2014]4021).
文摘The H^++CO2 reaction at high energies is relevant in atmospheric chemistry,astrophysics,and proton cancer therapy research.Therefore,we present herein a complete investigation of H^++CO2 at ELab=30 eV with the simplest-level electron nuclear dynamics(SLEND)method.SLEND describes nuclei via classical mechanics and electrons with a singledeterminantal Thouless wavefunction.The 3402 SLEND conducted simulations from 42 independent CO2 target orientations provide a full description of all the reactive processes and their mechanisms in this system:non-charge-transfer scattering(NCTS),charge-transfer scattering(CTS),and single C=O bond dissociation;all this valuable information about reactivity is not accessible experimentally.Numerous details of the projectile scattering patterns are provided,including the appearance and coalescence of primary and secondary rainbow angles as a function of the target orientation.SLEND NCTS and CTS differential cross sections(DCSs)are evaluated in conjunction with advanced semi-classical techniques.SLEND NCTS DCS agrees well with its experimental counterpart at all the measured scattering angles,whereas SLEND CTS DCS agrees well at high scattering angles but less satisfactorily at lower ones.Remarkably,both NCTS and CTS SLEND DCSs predict the primary rainbow angle signatures in agreement with the experiment.
