This paper reviews the author＇s recent works on the basic physics of cold fusion by the TSC （tetrahedral symmetric condensate） theory. Models of TSC formation conditions in condensed matter are first proposed. Seco...This paper reviews the author＇s recent works on the basic physics of cold fusion by the TSC （tetrahedral symmetric condensate） theory. Models of TSC formation conditions in condensed matter are first proposed. Secondly formulas for cold fusion rates per D（H）-cluster are explained with typical quantitative results. The 4D/TSC fusion and the 4H/TSC WS fusion are underlying mechanisms, respectively for the D （deuterium）-system and the H （protium）-system.展开更多
The chemisorption properties of N^18O adsorption on TiO2(110) surface were investigated by experimental and theoretical methods. The results of temperature programmed desorption (TPD) indicated that the temperatures o...The chemisorption properties of N^18O adsorption on TiO2(110) surface were investigated by experimental and theoretical methods. The results of temperature programmed desorption (TPD) indicated that the temperatures of the three desorption peaks of the main N2 molecules were at (low) temperature of 230 K, 450 K, and (high) temperature of 980 K. This meant that N^18O decomposed and recombined during the process of N2 desorption after N^18O was exposed. Analysis of thestable combination and orbital theory calculation of the surface reaction of NO adsorption on the TiO2(110) cluster modelshowed that there was clear preference for the Ti-NO orientation.展开更多
A new identity-based （ID-based） aggregate signature scheme which does not need any kind of interaction among the signers was proposed to provide partial aggregation. Compared with the existing ID-based aggregate sig...A new identity-based （ID-based） aggregate signature scheme which does not need any kind of interaction among the signers was proposed to provide partial aggregation. Compared with the existing ID-based aggregate signatures, the scheme is more efficient in terms of computational cost, Security in the random oracle model based on a variant of the computation Diflle-Hellman （CDH） problem is captured.展开更多
A mathematical model has been developed to describe the agglomeration process in bio-fuel fired fluidized bed combustor. Based on the balance mechanism of the adhesive force caused by liquid bonding between two parti-...A mathematical model has been developed to describe the agglomeration process in bio-fuel fired fluidized bed combustor. Based on the balance mechanism of the adhesive force caused by liquid bonding between two parti- cles and the breaking force induced by bubbles in the fiuidized bed, the model considers modified Urbain model and chemical equilibrium calculations using FactSage modeling. This model prediction accounts for the evolve- ment of the adhesive and breaking forces, and clearly demonstrates that the different composition of ash, the in- creasing liquid phase matter and the fiuidization velocity cause defluidization in fluidized bed. In this model, it is the first time to hypothesize that the bonding stress between two particles is proportional to mass fraction of liq- uid phase and inversely proportional to the diameter of particles and viscosity of liquid phase. The defluidization time calculated by this model shows good agreement with that from the experimental data.展开更多
We investigate the Landau damping of the collective mode in a quasi-one-dimensional repulsive Bose-Einstein condensate by using the self-consistent time-dependent Hartree-Fock-Bogoliubov approximation.We put forward a...We investigate the Landau damping of the collective mode in a quasi-one-dimensional repulsive Bose-Einstein condensate by using the self-consistent time-dependent Hartree-Fock-Bogoliubov approximation.We put forward a new method to calculate the Landau damping rate of the collective mode in the condensate and discuss the dependence of the Landau damping on temperature,on transverse trapping frequency,on atom number in the condensate,and on length of the system.Different from the usual calculation method for the three dimension system,our new calculation method is an interactive one by considering the practical relaxation of the elementary excitation.With little approximation,our theoretical calculation results agree with the experimental ones.Comparing with the usual calculation method,our theory is helpful to deduce the inter-particle interactions in damping phenomenon.展开更多
The generation of toxic non-native protein conformers has emerged as a unifying thread among disorders such as Alzheimer＇s disease, Parkinson＇s disease, and amyotrophic lateral sclerosis. Atomic-level detail regardi...The generation of toxic non-native protein conformers has emerged as a unifying thread among disorders such as Alzheimer＇s disease, Parkinson＇s disease, and amyotrophic lateral sclerosis. Atomic-level detail regarding dynamical changes that facilitate protein aggre- gation, as well as the structural features of large-scale ordered aggregates and soluble non-native oligomers, would contribute signifi- cantly to current understanding of these complex phenomena and offer potential strategies for inhibiting formation of cytotoxic species. However, experimental limitations often preclude the acquisition of high-resolution structural and mechanistic information for aggregating systems. Computational methods, particularly those combine both aU-atom and coarse-grained simulations to cover a wide range of time and length scales, have thus emerged as crucial tools for investigating protein aggregation. Here we review the current state of computational methodology for the study of protein self-assembly, with a focus on the application of these methods toward understanding of protein aggregates in human neurodegenerative disorders.展开更多
This project aims to attack the frontiers of electronic structure calculations on the excited states of large molecules and molecular aggregates by developing novel theoretical and computational methods. The methodolo...This project aims to attack the frontiers of electronic structure calculations on the excited states of large molecules and molecular aggregates by developing novel theoretical and computational methods. The methodology development is especially based on the time-dependent density functional theory (TDDFT) and valence bond (VB) theory, and is expected to be computationally effective and accurate as well. Research works on the following related subjects will be performed: (1) The analytical energy-derivative approaches for electronically excited state within TDDFT will be developed to reduce bypass the computational costs in the calculation of molecular excited-state properties. (2) The ab initio methods for electronically excited state based on VB theory and hybrid TDDFT-VB method will be developed to overcome the limitations of current TDDFT in simulating photophysics and photochemistry. (3) For larger aggregates, neither ab initio methods nor TDDFT is applicable. We intend to build the effective model Hamiltonian by developing novel theoretical and computational methods to calculate the involved microscopic physical parameters from the first-principles methods. The constructed effective Hamiltonian is then used to describe the excitonic states and excitonic dynamics of the natural or artificial photosynthesized systems, organic or inorganic photovoltaic cell. (4) The condensed phase environment is taken into account by combining the developed theories and algorithms based on TDDFT and VB with the polarizable continuum solvent models (PCM), molecular mechanism (MM), classical electrodynamics (ED) or molecular dynamics (MD) theory. (5) Highly efficient software packages will be designed and developed.展开更多
文摘This paper reviews the author＇s recent works on the basic physics of cold fusion by the TSC （tetrahedral symmetric condensate） theory. Models of TSC formation conditions in condensed matter are first proposed. Secondly formulas for cold fusion rates per D（H）-cluster are explained with typical quantitative results. The 4D/TSC fusion and the 4H/TSC WS fusion are underlying mechanisms, respectively for the D （deuterium）-system and the H （protium）-system.
文摘The chemisorption properties of N^18O adsorption on TiO2(110) surface were investigated by experimental and theoretical methods. The results of temperature programmed desorption (TPD) indicated that the temperatures of the three desorption peaks of the main N2 molecules were at (low) temperature of 230 K, 450 K, and (high) temperature of 980 K. This meant that N^18O decomposed and recombined during the process of N2 desorption after N^18O was exposed. Analysis of thestable combination and orbital theory calculation of the surface reaction of NO adsorption on the TiO2(110) cluster modelshowed that there was clear preference for the Ti-NO orientation.
文摘A new identity-based （ID-based） aggregate signature scheme which does not need any kind of interaction among the signers was proposed to provide partial aggregation. Compared with the existing ID-based aggregate signatures, the scheme is more efficient in terms of computational cost, Security in the random oracle model based on a variant of the computation Diflle-Hellman （CDH） problem is captured.
基金the support of National Natural Science Foundation of China (Project Code:50706055)
文摘A mathematical model has been developed to describe the agglomeration process in bio-fuel fired fluidized bed combustor. Based on the balance mechanism of the adhesive force caused by liquid bonding between two parti- cles and the breaking force induced by bubbles in the fiuidized bed, the model considers modified Urbain model and chemical equilibrium calculations using FactSage modeling. This model prediction accounts for the evolve- ment of the adhesive and breaking forces, and clearly demonstrates that the different composition of ash, the in- creasing liquid phase matter and the fiuidization velocity cause defluidization in fluidized bed. In this model, it is the first time to hypothesize that the bonding stress between two particles is proportional to mass fraction of liq- uid phase and inversely proportional to the diameter of particles and viscosity of liquid phase. The defluidization time calculated by this model shows good agreement with that from the experimental data.
基金Supported by National Natural Science Foundation of China under Grant No.10864006the Key Research Project of Xinjiang Higher Education,China under Grant No.XJED2010141the Key Discipline of Theoretical Physics of Xinjiang,China and the Postgraduate Scientific and Technological Innovation Project of Xinjiang Normal University,China under Grant No.20111202
文摘We investigate the Landau damping of the collective mode in a quasi-one-dimensional repulsive Bose-Einstein condensate by using the self-consistent time-dependent Hartree-Fock-Bogoliubov approximation.We put forward a new method to calculate the Landau damping rate of the collective mode in the condensate and discuss the dependence of the Landau damping on temperature,on transverse trapping frequency,on atom number in the condensate,and on length of the system.Different from the usual calculation method for the three dimension system,our new calculation method is an interactive one by considering the practical relaxation of the elementary excitation.With little approximation,our theoretical calculation results agree with the experimental ones.Comparing with the usual calculation method,our theory is helpful to deduce the inter-particle interactions in damping phenomenon.
文摘The generation of toxic non-native protein conformers has emerged as a unifying thread among disorders such as Alzheimer＇s disease, Parkinson＇s disease, and amyotrophic lateral sclerosis. Atomic-level detail regarding dynamical changes that facilitate protein aggre- gation, as well as the structural features of large-scale ordered aggregates and soluble non-native oligomers, would contribute signifi- cantly to current understanding of these complex phenomena and offer potential strategies for inhibiting formation of cytotoxic species. However, experimental limitations often preclude the acquisition of high-resolution structural and mechanistic information for aggregating systems. Computational methods, particularly those combine both aU-atom and coarse-grained simulations to cover a wide range of time and length scales, have thus emerged as crucial tools for investigating protein aggregation. Here we review the current state of computational methodology for the study of protein self-assembly, with a focus on the application of these methods toward understanding of protein aggregates in human neurodegenerative disorders.
基金the National Natrual Science Foundation of China (21290193)
文摘This project aims to attack the frontiers of electronic structure calculations on the excited states of large molecules and molecular aggregates by developing novel theoretical and computational methods. The methodology development is especially based on the time-dependent density functional theory (TDDFT) and valence bond (VB) theory, and is expected to be computationally effective and accurate as well. Research works on the following related subjects will be performed: (1) The analytical energy-derivative approaches for electronically excited state within TDDFT will be developed to reduce bypass the computational costs in the calculation of molecular excited-state properties. (2) The ab initio methods for electronically excited state based on VB theory and hybrid TDDFT-VB method will be developed to overcome the limitations of current TDDFT in simulating photophysics and photochemistry. (3) For larger aggregates, neither ab initio methods nor TDDFT is applicable. We intend to build the effective model Hamiltonian by developing novel theoretical and computational methods to calculate the involved microscopic physical parameters from the first-principles methods. The constructed effective Hamiltonian is then used to describe the excitonic states and excitonic dynamics of the natural or artificial photosynthesized systems, organic or inorganic photovoltaic cell. (4) The condensed phase environment is taken into account by combining the developed theories and algorithms based on TDDFT and VB with the polarizable continuum solvent models (PCM), molecular mechanism (MM), classical electrodynamics (ED) or molecular dynamics (MD) theory. (5) Highly efficient software packages will be designed and developed.
