The dynamic behaviors of water contained in calcium-silicate-hydrate（C-S-H） gel with different water content values from 10%to 30%（by weight）,are studied by using an empirical diffusion model（EDM） to analyze the...The dynamic behaviors of water contained in calcium-silicate-hydrate（C-S-H） gel with different water content values from 10%to 30%（by weight）,are studied by using an empirical diffusion model（EDM） to analyze the experimental data of quasi-elastic neutron scattering（QENS） spectra at measured temperatures ranging from 230 K to 280 K.In the study,the experimental QENS spectra with the whole Q-range are considered.Several important parameters including the bound/immobile water elastic coefficient A,the bound water index BWI,the Lorentzian with a half-width at half-maximum（HWHM） Γ;（Q） and Γ;（Q）,the self-diffusion coefficients D;and D;of water molecules,the average residence times τ;and τ;,and the proton mean squared displacement（MSD）(u;) are obtained.The results show that the QENS spectra can be fitted very well not only for small Q（≤1 A;） but also for large Q.The bound/immobile water fraction in a C-S-H gel sample can be shown by the fitted BWI.The distinction between bound/immobile and mobile water,which includes confined water and ultra-confined water,can be seen by the fitted MSD.All the MSD tend to be the smallest value below 0.25 A;（the MSD of bound/immobile water） as the Q increases to 1.9 A;no matter what the temperature and water content are.Furthermore,by the abrupt changes of the fitted values of D;,τ;,and Γ;（Q）,a crossover temperature at 250 K,namely the liquid-to-crystal-like transition temperature,can be identified for confined water in large gel pores（LGPs） and/or small gel pores（SGPs） contained in the C-S-H gel sample with 30% water content.展开更多
The influence of pseudogap on the inelastic neutron scattering spectra of the underdoped lanthanum cuprate is studied on the basis of the model which incorporates both the superconducting state and pseudogap state. It...The influence of pseudogap on the inelastic neutron scattering spectra of the underdoped lanthanum cuprate is studied on the basis of the model which incorporates both the superconducting state and pseudogap state. It is found that the striking effects of the influence of the pseudogap on the incommensurability of the spin excitation spectrum are that in the superconducting state the pseudogap makes the intensity of the incommensurate peak increase, in the normal state the pseudogap not only makes the intensity of the incommensurate peak increase, but also sharpens the incommensurate peak and increases incommensurability.展开更多
Quasi-elastic neutron scattering(QENS) has many applications that are directly related to the development of highperformance functional materials and biological macromolecules, especially those containing some water. ...Quasi-elastic neutron scattering(QENS) has many applications that are directly related to the development of highperformance functional materials and biological macromolecules, especially those containing some water. The analysis method of QENS spectra data is important to obtain parameters that can explain the structure of materials and the dynamics of water. In this paper, we present a revised jump-diffusion and rotation-diffusion model(rJRM) used for QENS spectra data analysis. By the rJRM, the QENS spectra from a pure magnesium-silicate-hydrate(MSH) sample are fitted well for the Q range from 0.3 ^(-1) to 1.9 ^(-1) and temperatures from 210 K up to 280 K. The fitted parameters can be divided into two kinds. The first kind describes the structure of the MSH sample, including the ratio of immobile water(or bound water) C and the confining radius of mobile water a_0. The second kind describes the dynamics of confined water in pores contained in the MSH sample, including the translational diffusion coefficient Dt, the average translational residence timeτ0, the rotational diffusion coefficient D_r, and the mean squared displacement(MSD) u^2. The r JRM is a new practical method suitable to fit QENS spectra from porous materials, where hydrogen atoms appear in both solid and liquid phases.展开更多
With the aim of studying the effect of water dynamics on the properties of biological systems, in this paper, we present a quasi-elastic neutron scattering study on three different types of living cells, differing bot...With the aim of studying the effect of water dynamics on the properties of biological systems, in this paper, we present a quasi-elastic neutron scattering study on three different types of living cells, differing both in their morphological and tumor properties. The measured scattering signal, which essentially originates from hydrogen atoms present in the investigated systems, has been analyzed using a global fitting strategy using an optimized theoretical model that considers various classes of hydrogen atoms and allows disentangling diffusive and rotational motions. The approach has been carefully validated by checking the reliability of the calculation of parameters and their 99% confidence intervals. We demonstrate that quasi-elastic neutron scattering is a suitable experimental technique to characterize the dynamics of intracellular water in the angstrom/picosecond space/time scale and to investigate the effect of water dynamics on cellular biodiversity.展开更多
文摘The dynamic behaviors of water contained in calcium-silicate-hydrate（C-S-H） gel with different water content values from 10%to 30%（by weight）,are studied by using an empirical diffusion model（EDM） to analyze the experimental data of quasi-elastic neutron scattering（QENS） spectra at measured temperatures ranging from 230 K to 280 K.In the study,the experimental QENS spectra with the whole Q-range are considered.Several important parameters including the bound/immobile water elastic coefficient A,the bound water index BWI,the Lorentzian with a half-width at half-maximum（HWHM） Γ;（Q） and Γ;（Q）,the self-diffusion coefficients D;and D;of water molecules,the average residence times τ;and τ;,and the proton mean squared displacement（MSD）(u;) are obtained.The results show that the QENS spectra can be fitted very well not only for small Q（≤1 A;） but also for large Q.The bound/immobile water fraction in a C-S-H gel sample can be shown by the fitted BWI.The distinction between bound/immobile and mobile water,which includes confined water and ultra-confined water,can be seen by the fitted MSD.All the MSD tend to be the smallest value below 0.25 A;（the MSD of bound/immobile water） as the Q increases to 1.9 A;no matter what the temperature and water content are.Furthermore,by the abrupt changes of the fitted values of D;,τ;,and Γ;（Q）,a crossover temperature at 250 K,namely the liquid-to-crystal-like transition temperature,can be identified for confined water in large gel pores（LGPs） and/or small gel pores（SGPs） contained in the C-S-H gel sample with 30% water content.
文摘The influence of pseudogap on the inelastic neutron scattering spectra of the underdoped lanthanum cuprate is studied on the basis of the model which incorporates both the superconducting state and pseudogap state. It is found that the striking effects of the influence of the pseudogap on the incommensurability of the spin excitation spectrum are that in the superconducting state the pseudogap makes the intensity of the incommensurate peak increase, in the normal state the pseudogap not only makes the intensity of the incommensurate peak increase, but also sharpens the incommensurate peak and increases incommensurability.
文摘Quasi-elastic neutron scattering(QENS) has many applications that are directly related to the development of highperformance functional materials and biological macromolecules, especially those containing some water. The analysis method of QENS spectra data is important to obtain parameters that can explain the structure of materials and the dynamics of water. In this paper, we present a revised jump-diffusion and rotation-diffusion model(rJRM) used for QENS spectra data analysis. By the rJRM, the QENS spectra from a pure magnesium-silicate-hydrate(MSH) sample are fitted well for the Q range from 0.3 ^(-1) to 1.9 ^(-1) and temperatures from 210 K up to 280 K. The fitted parameters can be divided into two kinds. The first kind describes the structure of the MSH sample, including the ratio of immobile water(or bound water) C and the confining radius of mobile water a_0. The second kind describes the dynamics of confined water in pores contained in the MSH sample, including the translational diffusion coefficient Dt, the average translational residence timeτ0, the rotational diffusion coefficient D_r, and the mean squared displacement(MSD) u^2. The r JRM is a new practical method suitable to fit QENS spectra from porous materials, where hydrogen atoms appear in both solid and liquid phases.
文摘With the aim of studying the effect of water dynamics on the properties of biological systems, in this paper, we present a quasi-elastic neutron scattering study on three different types of living cells, differing both in their morphological and tumor properties. The measured scattering signal, which essentially originates from hydrogen atoms present in the investigated systems, has been analyzed using a global fitting strategy using an optimized theoretical model that considers various classes of hydrogen atoms and allows disentangling diffusive and rotational motions. The approach has been carefully validated by checking the reliability of the calculation of parameters and their 99% confidence intervals. We demonstrate that quasi-elastic neutron scattering is a suitable experimental technique to characterize the dynamics of intracellular water in the angstrom/picosecond space/time scale and to investigate the effect of water dynamics on cellular biodiversity.
