Normal mode analysis in dihedral angle space was carried out on two X ray crystal structures and one model structure responded to the same sequence of duplex DNA: d(CGCGAATTCGCG). Comparing these results indicates th...Normal mode analysis in dihedral angle space was carried out on two X ray crystal structures and one model structure responded to the same sequence of duplex DNA: d(CGCGAATTCGCG). Comparing these results indicates that it is reliable and meaningful to carry out normal mode analysis on model structures. The reliability is greater except for the ends of helix.展开更多
The normalized central moments are widely used in pattern recognition because of scale and translation invariance. The moduli of normalized central moments of the 1-dimensional complex range profiles are used here as ...The normalized central moments are widely used in pattern recognition because of scale and translation invariance. The moduli of normalized central moments of the 1-dimensional complex range profiles are used here as feature vector for radar target recognition. The common feature extraction method for high resolution range profile obtained by using Fourier-modified direct Mellin transform is inefficient and unsatisfactory in recognition rate And. generally speaking, the automatic target recognition method based on inverse synthetic aperture radar 2-dimensional imaging is not competent for real time object identification task because it needs complicated motion compensation which is sometimes too difficult to carry out. While the method applied here is competent for real-time recognition because of its computational efficiency. The result of processing experimental data indicates that this method is good at recognition.展开更多
Guizhou Province is an important karst area in the world and a fragile ecological area in China. Ecological risk assessment is very necessary to be conducted in this region. This study investigates different character...Guizhou Province is an important karst area in the world and a fragile ecological area in China. Ecological risk assessment is very necessary to be conducted in this region. This study investigates different characteristics of the spatial-temporal changes of vegetation cover in Guizhou Province of Southern China using the data set of SPOT VEGETATION(1999–2015) at spatial resolution of 1-km and temporal resolution of 10-day. The coefficient of variation, the Theil-Sen median trend analysis, and the Mann-Kendall test are used to investigate the spatial-temporal change of vegetation cover and its future trend. Results show that: 1) the spatial distribution pattern of vegetation cover in Guizhou Plateau is high in the east whereas low in the west. The average annual normalized difference vegetation index(NDVI) from west to east is higher than that from south to north. 2) Average annual NDVI improved obviously in the past 17 years. The growth rate of average annual NDVI is 0.028/10 yr, which is slower than that of vegetation in the country(0.048/10 yr) from 1998 to 2007. Average annual NDVI in karst area is lower than that in non-karst area. However, the growing rate of average annual NDVI in karst area(0.030/10 yr) is faster than that in non-karst area(0.023/10 yr), indicating that vegetation coverage increases more rapidly in karst area. 3) Vegetation coverage in the study area is stable overall, but fluctuates in the local scales. 4) Vegetation coverage presents a continuous increasing trend. The Hurst exponent of NDVI in different vegetation types has an obvious threshold in various elevations. 5) The proportion of vegetation cover with sustainable increase is higher than that of vegetation cover with sustainable decrease. The improvement in vegetation cover may expand to most parts of the study area.展开更多
The study considers a homogeneous isotropic thermo-visco-elastic solid with hyperbolic two-temperature to cope up with its two-dimensional(2 D)deformations.The heat conduction equation is influenced by the Thomson coe...The study considers a homogeneous isotropic thermo-visco-elastic solid with hyperbolic two-temperature to cope up with its two-dimensional(2 D)deformations.The heat conduction equation is influenced by the Thomson coefficient.Lord-Shulman’s theory is used to modify the basic governing equations.A method called"normal mode analysis"is utilized to attain the magnetic field,stress,conductive and thermodynamic temperature,and displacement components.Also,a number of numerical calculations are performed and discussed to understand the impact of hyperbolic two-temperatures,Thomson parameter,and viscosity on the material mentioned above.展开更多
The excessive deformation of deep-sea sediments caused by the vibration of the mining machine will adversely affect the efficiency and safety of mining.Combined with the deep-sea environment,the coupled thermo-hydro-m...The excessive deformation of deep-sea sediments caused by the vibration of the mining machine will adversely affect the efficiency and safety of mining.Combined with the deep-sea environment,the coupled thermo-hydro-mechanical problem for saturated porous deep-sea sediments subject to the vibration of the mining vehicle is investigated.Based on the Green-Lindsay(G-L)generalized thermoelastic theory and Darcy’s law,the model of thermo-hydro-mechanical dynamic responses for saturated porous deep-sea sediments under the vibration of the mining vehicle is established.We obtain the analytical solutions of non-dimensional vertical displacement,excess pore water pressure,vertical stress,temperature,and change in the volume fraction field with the normal mode analysis method,and depict them graphically.The normal mode analysis method uses the canonical coordinate transformation to solve the equation,which can quickly decouple the equation by ignoring the modal coupling effect on the basis of the canonical mode.The results indicate that the vibration frequency has obvious influence on the vertical displacement,excess pore water pressure,vertical stress,and change in volume fraction field.The loading amplitude has a great effect on the physical quantities in the foundation,and the changes of the physical quantities increase with the increase in loading amplitude.展开更多
The present paper aims to explore how the magnetic field,ramp parameter,and rotation affect a generalized micropolar thermoelastic medium that is standardized isotropic within the half-space.By employing normal mode a...The present paper aims to explore how the magnetic field,ramp parameter,and rotation affect a generalized micropolar thermoelastic medium that is standardized isotropic within the half-space.By employing normal mode analysis and Lame’s potential theory,the authors could express analytically the components of displacement,stress,couple stress,and temperature field in the physical domain.They calculated such manners of expression numerically and plotted the matching graphs to highlight and make comparisons with theoretical findings.The highlights of the paper cover the impacts of various parameters on the rotating micropolar thermoelastic half-space.Nevertheless,the non-dimensional temperature is not affected by the rotation and the magnetic field.Specific attention is paid to studying the impact of the magnetic field,rotation,and ramp parameter of the distribution of temperature,displacement,stress,and couple stress.The study highlighted the significant impact of the rotation,magnetic field,and ramp parameter on the micropolar thermoelastic medium.In conclusion,graphical presentations were provided to evaluate the impacts of different parameters on the propagation of plane waves in thermoelastic media of different nature.The study may help the designers and engineers develop a structural control system in several applied fields.展开更多
A general model of the equations of the Lord-Sulman theory including one relaxation time and the Green-Lindsay theory with two relaxation times, as well as the classical dynamical coupled theory, are applied to the st...A general model of the equations of the Lord-Sulman theory including one relaxation time and the Green-Lindsay theory with two relaxation times, as well as the classical dynamical coupled theory, are applied to the study of the influence of reinforcement on the total deformation for an infinite space weakened by a finite linear opening mode- I crack. We study the influence of reinforcement on the total deformation of rotating thermoelastic half-space and their interaction with each other. The material is homogeneous isotropic elastic half space. The crack is subjected to prescribed temperature and stress distributions. The normal mode analysis is used to obtain the exact expressions for displacement components, force stresses, and temperature. The variations of the considered variables with the horizontal distance are illustrated graphically. Comparisons are made with the results obtained in the three theories with and without rotation. A comparison is also made between the two theories for different depths.展开更多
The hydrogen abstraction reaction of methanol with fluorine atoms can produce HF and CH_(3)O or CH_(2)OH radicals,which are important in the environment,combustion,radiation,and interstellar chemistry.In this work,the...The hydrogen abstraction reaction of methanol with fluorine atoms can produce HF and CH_(3)O or CH_(2)OH radicals,which are important in the environment,combustion,radiation,and interstellar chemistry.In this work,the dynamics of this typical reaction is investigated by the quasi-classical trajectory method based on a recently developed globally accurate full-dimensional potential energy surface.Particularly,the vibrational state distributions of the polyatomic products CH_(3)O and CH_(2)OH are determined by using the normal mode analysis method.It is found that CH_(3)O and CH_(2)OH are dominantly populated in the ground state when the reactants are at the ground ro-vibrational state.The OH stretching mode,torsional mode,H_(2)CO out-of-plane bending mode and their combination bands in the CH_(2)OH product can be effectively excited once the OH stretching mode of the reactant CH_(3)OH is excited to the first vibrationally excited state.Most of the available energy flows into the HF vibrational energy and the translational energy in both channels,while the radical products,CH_(3)O or CH_(2)OH,receive a small amount of energy,consistent with experiment,which is an indication of its spectator nature.展开更多
The primary objective of this research problem is to analyze the Rayleigh wave propagation in homogeneous isotropic half space with mass diffusion in Three Phase Lag(TPL)thermoelasticity at two temperature.The governi...The primary objective of this research problem is to analyze the Rayleigh wave propagation in homogeneous isotropic half space with mass diffusion in Three Phase Lag(TPL)thermoelasticity at two temperature.The governing equations of thermodiffusive elastic half space have been solved using the normal mode analysis in order to obtain the Rayleigh wave frequency equation at relevant boundary conditions.The variation of various parameters like non-dimensional speed,attenuation coefficient,penetration depth and specific loss corresponding to thermodiffusion parameter,relaxation time,wave number and frequency has been obtained.The effect of these parameters on Rayleigh wave propagation in thermoelastic half space are graphically demonstrated and variations of all these parameters have been compared within Lord-Shulman(L-S),Green-Nagdhi(GN-III)and Three Phase Lag(TPL)theory of thermoelasticity.展开更多
Li-rich materials,due to their high capacity(>250 mAh·g^(-1)),have recently been considered as an alternative to the current generation of cathode materials for Li-ion batteries(LIBs).However,their inferior cy...Li-rich materials,due to their high capacity(>250 mAh·g^(-1)),have recently been considered as an alternative to the current generation of cathode materials for Li-ion batteries(LIBs).However,their inferior cycling stability limits their practical applicability.Doping is a common technique to solve this problem.However,anion doping remains relatively underexplored.Fluorine(F)is one of the most effective anion dopants owning to the improved capacity,cycling stability,and rate performance in batteries.The explanations and experimental results,however,vary significantly from study to study.Herein,we find that bulk F-doping significantly improves both rate performance and cycling stability,likely driven by charge compensation and greater electronegativity.Additionally,bulk F-doping occasionally improves capacity via enhanced activation and occasionally decreases capacity by preventing activation from occurring.Surface F-doping has similar effects to bulk F-doping on capacity and stability,while significantly hindering the rate performance.Furthermore,the improvements in surface-doped materials do not appear to be a result of specific surface modification,and instead can be ascribed to the effect of fluorine on the near-surface bulk material.Greater understanding of fluo-rine's influence on activation,in particular,is required to unlock the full potential of synergistic cation/anion co-doping.展开更多
In multi physics computations where a compressible fluid is coupled with a linearly elastic solid,it is standard to enforce continuity of the normal velocities and of the normal stresses at the interface between the f...In multi physics computations where a compressible fluid is coupled with a linearly elastic solid,it is standard to enforce continuity of the normal velocities and of the normal stresses at the interface between the fluid and the solid.In a numerical scheme,there are many ways that velocity-and stress-continuity can be enforced in the discrete approximation.This paper performs a normal mode stability analysis of the linearized problem to investigate the stability of different numerical interface conditions for a model problem approximated by upwind type finite difference schemes.The analysis shows that depending on the ratio of densities between the solid and the fluid,some numerical interface conditions are stable up to the maximal CFL-limit,while other numerical interface conditions suffer from a severe reduction of the stable CFL-limit.The paper also presents a new interface condition,obtained as a simplified characteristic boundary condition,that is proved to not suffer from any reduction of the stable CFL-limit.Numerical experiments in one space dimension show that the new interface condition is stable also for computations with the non-linear Euler equations of compressible fluid flow coupled with a linearly elastic solid.展开更多
In this paper, the equilibrium geometries of two isomers of the newly found compound ——nitrosomethanol——have been optimized by ab initio SCF MO method with 3-21G basic set by gradient technique. And the second der...In this paper, the equilibrium geometries of two isomers of the newly found compound ——nitrosomethanol——have been optimized by ab initio SCF MO method with 3-21G basic set by gradient technique. And the second derivatives of potential energy (i. e. the force constant matrix elements) have been calculated analytically. Hence the entire force fields of the two isomers of nitro- somethanol have been obtained theoretically. The theoretical vibrational frequencies and the corres- ponding normal modes were obtained and compared with the experimental values. and the structures of two isomeric forms of nitrosomethanol are established.展开更多
In the present article,we have used the three-phase-lag model of thermoelasticity to formulate a two dimensional problem of non homogeneous,isotropic,double porous media with a gravitational field im-pact.Thermal shoc...In the present article,we have used the three-phase-lag model of thermoelasticity to formulate a two dimensional problem of non homogeneous,isotropic,double porous media with a gravitational field im-pact.Thermal shock of constant intensity is applied on the bounding surface.The normal mode procedure is employed to derive the exact expressions of the field quantities.These expressions are also calculated numerically and plotted graphically to demonstrate and compare theoretical results.The influences of non-homogeneity parameter,double porosity and gravity on the various physical quantities are also ana-lyzed.A comparative study is done between three-phase-lag and GN-III models.Some limiting cases are also deduced from the current study.展开更多
This paper aims to examine the influence of gravity on a thermoelastic microelongated layer when a piezoelectric layer is above it,utilizing the theory of Lord–Shulman(L–S)and also the model of dual‐phase‐lag(DPL)...This paper aims to examine the influence of gravity on a thermoelastic microelongated layer when a piezoelectric layer is above it,utilizing the theory of Lord–Shulman(L–S)and also the model of dual‐phase‐lag(DPL).A partial differential equation was transformed into an ordinary differential equation using the normal mode analysis.Aluminum epoxy numerical computations are carried out,and the results are presented in graphical format.The L–S theory and the model of DPL are compared in the presence and absence of gravity and it is found that gravity has quite a massive influence on all the physical quantities.展开更多
OBJECTIVE:To establish a quantification model of Traditional Chinese Medicine(TCM)syndromes by sampling patients undergoing idiopathic precocious puberty(IPP)and early puberty.METHODS:A questionnaire for classifying a...OBJECTIVE:To establish a quantification model of Traditional Chinese Medicine(TCM)syndromes by sampling patients undergoing idiopathic precocious puberty(IPP)and early puberty.METHODS:A questionnaire for classifying and quantifying TCM syndromes was designed and administered.All the results were analyzed;the relationship between 3 types of syndrome and 47symptoms were summated.Meanwhile,the frequency distribution of each symptom or sign was aggregated.Fuzzy mathematics was used to develop a quantification model ofTCM syndromes.RESULTS:We found that precocious puberty had 3types of syndrome,including hyperactivity of fire due to Yin deficiency(Syndrome I),depressed liver Qi transforming into fire(Syndrome II),and end retention of damp heat(Syndrome III).In the IPP group,Syndrome I was the most common principal syndrome(100%).Forty-six patients(43.81%)werediagnosed with Syndrome I accompanied by Syndrome II and 11(10.48%)were diagnosed with Syndrome I accompanied by Syndrome III.In the early puberty group,Syndrome I was also the main syndrome(98.39%).The degrees of most symptoms were mild to moderate.Reddened tongue was the most common tongue manifestation(62.86%prevalence)in the IPP group.The most common pulse manifestations were slippery pulse,thread pulse,and taut pulse.The Asymptotic Normalization Coefficient(ANC)method was used to quantify the TCM syndromes in 167 cases.Diagnostic accuracy rate reached 91%,comparable to expert diagnosis.CONCLUSION:We find that there are 3 types of syndrome in the IPP group and in the early puberty group.Syndrome I(hyperactivity of fire due to Yin deficiency)is the main syndrome in the two groups.ANC may be an appropriate for quantification model ofTCM syndromes.展开更多
In this paper,the generalized thermoelasticity problem for an infinite fiberreinforced transversely-isotropic thick plate subjected to initial stress is solved.The lower surface of the plate rests on a rigid foundatio...In this paper,the generalized thermoelasticity problem for an infinite fiberreinforced transversely-isotropic thick plate subjected to initial stress is solved.The lower surface of the plate rests on a rigid foundation and temperature while the upper surface is thermally insulated with prescribed surface loading.The normal mode analysis is used to obtain the analytical expressions for the displacements,stresses and temperature distributions.The problem has been solved analytically using the generalized thermoelasticity theory of dual-phase-lags.Effect of phase-lags,reinforcement and initial stress on the field quantities is shown graphically.The results due to the coupled thermoelasticity theory,Lord and Shulman’s theory,and Green and Naghdi’s theory have been derived as limiting cases.The graphs illustrated that the initial stress,the reinforcement and phase-lags have great effects on the distributions of the field quantities.展开更多
Recently,Yu et al.(2014)proposed a new model in generalized thermoelasticity based on heat conduction with the memory-dependent derivative.The magneto-thermoelastic responses in a perfectly conducting thermoelastic so...Recently,Yu et al.(2014)proposed a new model in generalized thermoelasticity based on heat conduction with the memory-dependent derivative.The magneto-thermoelastic responses in a perfectly conducting thermoelastic solid half-space is investigated in the context of the above new theory.Normal mode analysis together with an eigenvalue expansion technique is used to solve the resulting non-dimensional coupled governing equations.The obtained solutions are then applied to a specific problem for thermoelastic half-space whose boundary is subjected to a time-dependent thermal shock and zero stress.The effects of the kernel function,time-delay parameter,magnetic field and thermoelastic coupling parameter on the variations of different field quantities inside the half-space are analyzed graphically.The results show that these parameters has significant influence on the variations of the considered variables.展开更多
文摘Normal mode analysis in dihedral angle space was carried out on two X ray crystal structures and one model structure responded to the same sequence of duplex DNA: d(CGCGAATTCGCG). Comparing these results indicates that it is reliable and meaningful to carry out normal mode analysis on model structures. The reliability is greater except for the ends of helix.
文摘The normalized central moments are widely used in pattern recognition because of scale and translation invariance. The moduli of normalized central moments of the 1-dimensional complex range profiles are used here as feature vector for radar target recognition. The common feature extraction method for high resolution range profile obtained by using Fourier-modified direct Mellin transform is inefficient and unsatisfactory in recognition rate And. generally speaking, the automatic target recognition method based on inverse synthetic aperture radar 2-dimensional imaging is not competent for real time object identification task because it needs complicated motion compensation which is sometimes too difficult to carry out. While the method applied here is competent for real-time recognition because of its computational efficiency. The result of processing experimental data indicates that this method is good at recognition.
基金Under the auspices of National Key Research Program of China(No.2016YFC0502300,2016YFC0502102,2014BAB03B00)National Key Research and Development Program(No.2014BAB03B02)+3 种基金Agricultural Science and Technology Key Project of Guizhou Province of China(No.2014-3039)Science and Technology Plan Projects of Guiyang Municipal Bureau of Science and Technology of China(No.2012-205)Science and Technology Plan of Guizhou Province of China(No.2012-6015)Guangxi Natural Science Foundation of China(No.2014GXNSFBA118221)
文摘Guizhou Province is an important karst area in the world and a fragile ecological area in China. Ecological risk assessment is very necessary to be conducted in this region. This study investigates different characteristics of the spatial-temporal changes of vegetation cover in Guizhou Province of Southern China using the data set of SPOT VEGETATION(1999–2015) at spatial resolution of 1-km and temporal resolution of 10-day. The coefficient of variation, the Theil-Sen median trend analysis, and the Mann-Kendall test are used to investigate the spatial-temporal change of vegetation cover and its future trend. Results show that: 1) the spatial distribution pattern of vegetation cover in Guizhou Plateau is high in the east whereas low in the west. The average annual normalized difference vegetation index(NDVI) from west to east is higher than that from south to north. 2) Average annual NDVI improved obviously in the past 17 years. The growth rate of average annual NDVI is 0.028/10 yr, which is slower than that of vegetation in the country(0.048/10 yr) from 1998 to 2007. Average annual NDVI in karst area is lower than that in non-karst area. However, the growing rate of average annual NDVI in karst area(0.030/10 yr) is faster than that in non-karst area(0.023/10 yr), indicating that vegetation coverage increases more rapidly in karst area. 3) Vegetation coverage in the study area is stable overall, but fluctuates in the local scales. 4) Vegetation coverage presents a continuous increasing trend. The Hurst exponent of NDVI in different vegetation types has an obvious threshold in various elevations. 5) The proportion of vegetation cover with sustainable increase is higher than that of vegetation cover with sustainable decrease. The improvement in vegetation cover may expand to most parts of the study area.
基金the Taif University Researchers Supporting Project in Taif University of Saudi Arabia(No.TURSP-2020/230)。
文摘The study considers a homogeneous isotropic thermo-visco-elastic solid with hyperbolic two-temperature to cope up with its two-dimensional(2 D)deformations.The heat conduction equation is influenced by the Thomson coefficient.Lord-Shulman’s theory is used to modify the basic governing equations.A method called"normal mode analysis"is utilized to attain the magnetic field,stress,conductive and thermodynamic temperature,and displacement components.Also,a number of numerical calculations are performed and discussed to understand the impact of hyperbolic two-temperatures,Thomson parameter,and viscosity on the material mentioned above.
基金the National Natural Science Foundation of China(No.12072309)the Youth Fund Foundation of Education Bureau of Hunan Province of China(No.19B546)the High-Level Talent Gathering Project in Hunan Province of China(No.2019RS1059)。
文摘The excessive deformation of deep-sea sediments caused by the vibration of the mining machine will adversely affect the efficiency and safety of mining.Combined with the deep-sea environment,the coupled thermo-hydro-mechanical problem for saturated porous deep-sea sediments subject to the vibration of the mining vehicle is investigated.Based on the Green-Lindsay(G-L)generalized thermoelastic theory and Darcy’s law,the model of thermo-hydro-mechanical dynamic responses for saturated porous deep-sea sediments under the vibration of the mining vehicle is established.We obtain the analytical solutions of non-dimensional vertical displacement,excess pore water pressure,vertical stress,temperature,and change in the volume fraction field with the normal mode analysis method,and depict them graphically.The normal mode analysis method uses the canonical coordinate transformation to solve the equation,which can quickly decouple the equation by ignoring the modal coupling effect on the basis of the canonical mode.The results indicate that the vibration frequency has obvious influence on the vertical displacement,excess pore water pressure,vertical stress,and change in volume fraction field.The loading amplitude has a great effect on the physical quantities in the foundation,and the changes of the physical quantities increase with the increase in loading amplitude.
基金The authors express their gratitude to the Academy of Scientific Research and Technology,Egypt for funding the present study under Science Up Grant No.(6459).
文摘The present paper aims to explore how the magnetic field,ramp parameter,and rotation affect a generalized micropolar thermoelastic medium that is standardized isotropic within the half-space.By employing normal mode analysis and Lame’s potential theory,the authors could express analytically the components of displacement,stress,couple stress,and temperature field in the physical domain.They calculated such manners of expression numerically and plotted the matching graphs to highlight and make comparisons with theoretical findings.The highlights of the paper cover the impacts of various parameters on the rotating micropolar thermoelastic half-space.Nevertheless,the non-dimensional temperature is not affected by the rotation and the magnetic field.Specific attention is paid to studying the impact of the magnetic field,rotation,and ramp parameter of the distribution of temperature,displacement,stress,and couple stress.The study highlighted the significant impact of the rotation,magnetic field,and ramp parameter on the micropolar thermoelastic medium.In conclusion,graphical presentations were provided to evaluate the impacts of different parameters on the propagation of plane waves in thermoelastic media of different nature.The study may help the designers and engineers develop a structural control system in several applied fields.
文摘A general model of the equations of the Lord-Sulman theory including one relaxation time and the Green-Lindsay theory with two relaxation times, as well as the classical dynamical coupled theory, are applied to the study of the influence of reinforcement on the total deformation for an infinite space weakened by a finite linear opening mode- I crack. We study the influence of reinforcement on the total deformation of rotating thermoelastic half-space and their interaction with each other. The material is homogeneous isotropic elastic half space. The crack is subjected to prescribed temperature and stress distributions. The normal mode analysis is used to obtain the exact expressions for displacement components, force stresses, and temperature. The variations of the considered variables with the horizontal distance are illustrated graphically. Comparisons are made with the results obtained in the three theories with and without rotation. A comparison is also made between the two theories for different depths.
基金supported by the National Natural Science Foundation of China(No.21973009 to Jun Li)the Chongqing Municipal Natural Science Foundation(No.cstc2019jcyj-msxm X0087 to Jun Li)the support from the Talent Introduction Project of Hubei Polytechnic University(No.21xjz01R)。
文摘The hydrogen abstraction reaction of methanol with fluorine atoms can produce HF and CH_(3)O or CH_(2)OH radicals,which are important in the environment,combustion,radiation,and interstellar chemistry.In this work,the dynamics of this typical reaction is investigated by the quasi-classical trajectory method based on a recently developed globally accurate full-dimensional potential energy surface.Particularly,the vibrational state distributions of the polyatomic products CH_(3)O and CH_(2)OH are determined by using the normal mode analysis method.It is found that CH_(3)O and CH_(2)OH are dominantly populated in the ground state when the reactants are at the ground ro-vibrational state.The OH stretching mode,torsional mode,H_(2)CO out-of-plane bending mode and their combination bands in the CH_(2)OH product can be effectively excited once the OH stretching mode of the reactant CH_(3)OH is excited to the first vibrationally excited state.Most of the available energy flows into the HF vibrational energy and the translational energy in both channels,while the radical products,CH_(3)O or CH_(2)OH,receive a small amount of energy,consistent with experiment,which is an indication of its spectator nature.
文摘The primary objective of this research problem is to analyze the Rayleigh wave propagation in homogeneous isotropic half space with mass diffusion in Three Phase Lag(TPL)thermoelasticity at two temperature.The governing equations of thermodiffusive elastic half space have been solved using the normal mode analysis in order to obtain the Rayleigh wave frequency equation at relevant boundary conditions.The variation of various parameters like non-dimensional speed,attenuation coefficient,penetration depth and specific loss corresponding to thermodiffusion parameter,relaxation time,wave number and frequency has been obtained.The effect of these parameters on Rayleigh wave propagation in thermoelastic half space are graphically demonstrated and variations of all these parameters have been compared within Lord-Shulman(L-S),Green-Nagdhi(GN-III)and Three Phase Lag(TPL)theory of thermoelasticity.
基金financially supported by Australian Research Council through its Discovery and Linkage Programs
文摘Li-rich materials,due to their high capacity(>250 mAh·g^(-1)),have recently been considered as an alternative to the current generation of cathode materials for Li-ion batteries(LIBs).However,their inferior cycling stability limits their practical applicability.Doping is a common technique to solve this problem.However,anion doping remains relatively underexplored.Fluorine(F)is one of the most effective anion dopants owning to the improved capacity,cycling stability,and rate performance in batteries.The explanations and experimental results,however,vary significantly from study to study.Herein,we find that bulk F-doping significantly improves both rate performance and cycling stability,likely driven by charge compensation and greater electronegativity.Additionally,bulk F-doping occasionally improves capacity via enhanced activation and occasionally decreases capacity by preventing activation from occurring.Surface F-doping has similar effects to bulk F-doping on capacity and stability,while significantly hindering the rate performance.Furthermore,the improvements in surface-doped materials do not appear to be a result of specific surface modification,and instead can be ascribed to the effect of fluorine on the near-surface bulk material.Greater understanding of fluo-rine's influence on activation,in particular,is required to unlock the full potential of synergistic cation/anion co-doping.
基金supported by Lawrence Livermore National Laboratory under the auspices of the U.S.Department of Energy through contract number DE-AC52-07NA27344.
文摘In multi physics computations where a compressible fluid is coupled with a linearly elastic solid,it is standard to enforce continuity of the normal velocities and of the normal stresses at the interface between the fluid and the solid.In a numerical scheme,there are many ways that velocity-and stress-continuity can be enforced in the discrete approximation.This paper performs a normal mode stability analysis of the linearized problem to investigate the stability of different numerical interface conditions for a model problem approximated by upwind type finite difference schemes.The analysis shows that depending on the ratio of densities between the solid and the fluid,some numerical interface conditions are stable up to the maximal CFL-limit,while other numerical interface conditions suffer from a severe reduction of the stable CFL-limit.The paper also presents a new interface condition,obtained as a simplified characteristic boundary condition,that is proved to not suffer from any reduction of the stable CFL-limit.Numerical experiments in one space dimension show that the new interface condition is stable also for computations with the non-linear Euler equations of compressible fluid flow coupled with a linearly elastic solid.
文摘In this paper, the equilibrium geometries of two isomers of the newly found compound ——nitrosomethanol——have been optimized by ab initio SCF MO method with 3-21G basic set by gradient technique. And the second derivatives of potential energy (i. e. the force constant matrix elements) have been calculated analytically. Hence the entire force fields of the two isomers of nitro- somethanol have been obtained theoretically. The theoretical vibrational frequencies and the corres- ponding normal modes were obtained and compared with the experimental values. and the structures of two isomeric forms of nitrosomethanol are established.
文摘In the present article,we have used the three-phase-lag model of thermoelasticity to formulate a two dimensional problem of non homogeneous,isotropic,double porous media with a gravitational field im-pact.Thermal shock of constant intensity is applied on the bounding surface.The normal mode procedure is employed to derive the exact expressions of the field quantities.These expressions are also calculated numerically and plotted graphically to demonstrate and compare theoretical results.The influences of non-homogeneity parameter,double porosity and gravity on the various physical quantities are also ana-lyzed.A comparative study is done between three-phase-lag and GN-III models.Some limiting cases are also deduced from the current study.
文摘This paper aims to examine the influence of gravity on a thermoelastic microelongated layer when a piezoelectric layer is above it,utilizing the theory of Lord–Shulman(L–S)and also the model of dual‐phase‐lag(DPL).A partial differential equation was transformed into an ordinary differential equation using the normal mode analysis.Aluminum epoxy numerical computations are carried out,and the results are presented in graphical format.The L–S theory and the model of DPL are compared in the presence and absence of gravity and it is found that gravity has quite a massive influence on all the physical quantities.
基金Supported by the National Natural Science Foundation of China(No.81072841)the Shanghai Science and Technology Research Grant Program(No.09dZ1971600)State Key Clinical Department of TCM pediatrics
文摘OBJECTIVE:To establish a quantification model of Traditional Chinese Medicine(TCM)syndromes by sampling patients undergoing idiopathic precocious puberty(IPP)and early puberty.METHODS:A questionnaire for classifying and quantifying TCM syndromes was designed and administered.All the results were analyzed;the relationship between 3 types of syndrome and 47symptoms were summated.Meanwhile,the frequency distribution of each symptom or sign was aggregated.Fuzzy mathematics was used to develop a quantification model ofTCM syndromes.RESULTS:We found that precocious puberty had 3types of syndrome,including hyperactivity of fire due to Yin deficiency(Syndrome I),depressed liver Qi transforming into fire(Syndrome II),and end retention of damp heat(Syndrome III).In the IPP group,Syndrome I was the most common principal syndrome(100%).Forty-six patients(43.81%)werediagnosed with Syndrome I accompanied by Syndrome II and 11(10.48%)were diagnosed with Syndrome I accompanied by Syndrome III.In the early puberty group,Syndrome I was also the main syndrome(98.39%).The degrees of most symptoms were mild to moderate.Reddened tongue was the most common tongue manifestation(62.86%prevalence)in the IPP group.The most common pulse manifestations were slippery pulse,thread pulse,and taut pulse.The Asymptotic Normalization Coefficient(ANC)method was used to quantify the TCM syndromes in 167 cases.Diagnostic accuracy rate reached 91%,comparable to expert diagnosis.CONCLUSION:We find that there are 3 types of syndrome in the IPP group and in the early puberty group.Syndrome I(hyperactivity of fire due to Yin deficiency)is the main syndrome in the two groups.ANC may be an appropriate for quantification model ofTCM syndromes.
文摘In this paper,the generalized thermoelasticity problem for an infinite fiberreinforced transversely-isotropic thick plate subjected to initial stress is solved.The lower surface of the plate rests on a rigid foundation and temperature while the upper surface is thermally insulated with prescribed surface loading.The normal mode analysis is used to obtain the analytical expressions for the displacements,stresses and temperature distributions.The problem has been solved analytically using the generalized thermoelasticity theory of dual-phase-lags.Effect of phase-lags,reinforcement and initial stress on the field quantities is shown graphically.The results due to the coupled thermoelasticity theory,Lord and Shulman’s theory,and Green and Naghdi’s theory have been derived as limiting cases.The graphs illustrated that the initial stress,the reinforcement and phase-lags have great effects on the distributions of the field quantities.
文摘Recently,Yu et al.(2014)proposed a new model in generalized thermoelasticity based on heat conduction with the memory-dependent derivative.The magneto-thermoelastic responses in a perfectly conducting thermoelastic solid half-space is investigated in the context of the above new theory.Normal mode analysis together with an eigenvalue expansion technique is used to solve the resulting non-dimensional coupled governing equations.The obtained solutions are then applied to a specific problem for thermoelastic half-space whose boundary is subjected to a time-dependent thermal shock and zero stress.The effects of the kernel function,time-delay parameter,magnetic field and thermoelastic coupling parameter on the variations of different field quantities inside the half-space are analyzed graphically.The results show that these parameters has significant influence on the variations of the considered variables.