复合式高能γ探测器优化设计Monte Carlo模拟计算

用MonteCarlo方法系统模拟计算了以NaI晶体与BGO晶体为探测介质的clover与cluster复合式高能γ探测器的效率 .对于相同的介质几何 ,BGO复合式探测器的全能峰效率远高于相应的NaI复合式探测器 .用多块76× 1 2 7BGO晶体制作成的clover与cluster复合式高能γ探测器对 2 2 0MeV的γ光子的全能峰特征效率仍然高于 40 % ,绝对效率增加因子达 2 4与 2 7.

Monte Carlo simulation of the neutron detection wall at RIBLL II in HIRFL-CSR

With the construction of the new Radioactive Ion Beam Line in Lanzhou (RIBLL II) which connects the CSRm and the CSRe, an experimental setup for physics research is highly required. A large area neutron detection wall is the main part of the setup. This paper introduced the detection principle of the neutron detection wall and the Monte-Carlo simulation of its design under the environment of the Geant4 toolkit. We presented the final design with the optimized parameters and the performance of the wall.

基于GEANT4的CsI(Tl)闪烁体探测器的Monte Carlo模拟；Monte Carlo Simulation of CsI(Tl) Scintillator Detector with GEANT4 ToolKit

对闪烁光在晶体内的传输以及光电子倍增过程进行了建模,基于GEANT4软件包对CsI(T1)闪烁体探测器进行了蒙特卡罗模拟,得到了不同形状、尺寸和包装的CsI(Tl)晶体测量γ射线的能谱。对比模拟和测试结果,两者得到了很好的符合,从而验证了模拟参数的合理性和可靠性。该模拟程序的建立为闪烁体探测器的设计提供了更精确的开发工具。

Rigidity effect on phase behavior of symmetric ABA triblock copolymers: A Monte Carlo simulation

The phase behavior of symmetric ABA triblock copolymers containing a semiflexible midblock is studied by lattice Monte Carlo simulation. As the midblock evolves from a fully flexible state to a semiflexible state in terms of increase in its persistence length, different phase behaviors are observed while cooling the system from an infinite high temperature to a temperature below T-ODT (order-disorder transition temperature). Within the midblock flexibility range we studied (l(p)/N-c <= 0.105), a lamellar structure is formed at equilibrium state as the situation for fully flexible chains. The fraction of bridge chain is evaluated for the lamellar structures. We find that the increase in midblock rigidity indeed results in the increase in bridge chain fraction within the range from 44.9% to 51.8%.

Effect of polydispersity on the self-assembly structure of diblock copolymers under various confined states: A Monte Carlo study

We studied the self-assembly of polydisperse diblock copolymers under various confined states by Monte Carlo simulation. When the copolymers were confined within two parallel walls, it was found that the ordered strip structures appeared alternately with the increase in wall width. Moreover, the wall width at which the ordered structure appeared tended to increase with an increase in the polydispersity index (PDI). On the other hand, the simulation results showed that the copolymers were likely to form ordered concentric strip structures when they were confined within a circle wall.

Monte Carlo simulation on symmetric ABA/AB copolymer blends in confined thin films

The effects of blend composition on morphology, order-disorder transition (ODT), and chain conformation of symmetric ABA/AB copolymer blends confined between two neutral hard walls have been investigated by lattice Monte Carlo simulation. Only lamellar structure is observed in all the simulation morphologies under thermodynamic equilibrium state, which is supported by theoretical prediction. When the composition of AB diblock copolymer (phi) increases, both lamellar spacing and the corresponding ODT temperature increase, which can be attributed to the variation of conformation distribution of the diblock and the triblock copolymer chains. In addition, both diblock and triblock copolymer, chains with bridge conformation extend dramatically in the direction parallel to the surface when the system is in ordered state. Finally, the copolymer chain conformation depends strongly on both the blend composition and the incompatibility parameter chi N.

Grafting of maleic anhydride onto linear polyethylene: A Monte Carlo study

Monte Carlo simulation was used to study the graft of maleic anhydride (MAH) onto linear polyethylene (PE-g-MAH) initiated by dicumyl peroxide (DCP). Simulation results revealed that major MAH monomers attached onto PE chains as branched graft at higher MAH content. However, at extremely low MAH content, the fraction of bridged graft was very close to that of branched graft. This conclusion was somewhat different from the conventional viewpoint, namely, the fraction of bridged graft was always much lower than that of branched graft under any condition. Moreover, the results indicated that the grafting degree increased almost linearly to MAH and DCP concentrations. On the other hand, it was found that the amount of grafted MAH dropped sharply with increasing the length of grafted MAH, indicating that MAH monomers were mainly attached onto the PE chain as single MAH groups or very short oligomers. With respect to the crosslink of PE, the results showed that the fraction of PE-(MAH)(n)-PE crosslink structure increased continuously, and hence the fraction of PE-PE crosslink decreased with increasing MAH concentration.

Effects of chain flexibility on polymer conformation in dilute solution studied by lattice Monte Carlo simulation

Effects of chain flexibility on the conformation of homopolymers in good solvents have been investigated by Monte Carlo simulation. Bond angle constraint coupled with persistence length of polymer chains has been introduced in the modified eight-site bond fluctuation simulation model. The study about the effects of chain flexibility on polymer sizes reveals that the orientation of polymer chains under confinement is driven by the loss of conformation entropy. The conformation of polymer chains undergoing a gradual change from spherical iso-diametric ellipsoid to rodlike iso-diametric ellipsoid with the decrease of polymer chain flexibility in a wide region has been clearly illustrated from several aspects. Furthermore, a comparison of the freely jointed chain (FJC) model and the wormlike chain (WLC) model has also been made to describe the polymer sizes in terms of chain flexibility and quasi-quantitative boundary toward the suitability of the models.

Investigation of sol-gel transition in Pluronic F127/D2O solutions using a combination of small-angle neutron scattering and Monte Carlo simulation

Physical gelation in the concentrated Pluronic F127/D2O solution has been studied by a combination of small-angle neutron scattering (SANS) and Monte Carlo simulation. A 15% F127/D2O solution exhibits a sol-gel transition at low temperature and a gel-sol transition at the higher temperature, as evidenced by SANS and Monte Carlo simulation studies. Our SANS and simulation results also suggest that the sol-gel transition is dominated by the formation of a percolated polymer network, while the gel-sol transition is determined by the loss of bound solvent. Furthermore, different diffusion behaviors of different bound solvents and free solvent are observed. We expect that this approach can be further extended to study phase behaviors of other systems with similar sol-gel phase diagrams.

A Monte Carlo simulation for the micellization of ABC 3-miktoarm star terpolymers in a selective solvent

We have used Monte Carlo simulation to study the micellization of ABC 3-miktoarm star terpolymers in a selective solvent (good to A segment, bad to B and C segments). The simulation results reveal that the self-assembled morphology is determined by the block length, molecular architecture, terpolymer concentration and insolubility of insoluble block in the solvent. In dilute solution, symmetric terpolymers (N-B = N-C = 30) tend to aggregate into a novel wormlike pearl-necklace structure linked by an alternating arrangement of B and C spheres, whereas the asymmetric terpolymers (NB = 10, NC = 50) are likely to aggregate into spherical or cylindrical micelles (formed by C blocks) connected with some small B spheres, when the concentration of terpolymer is relatively low (chain number is 100). However, when the concentration of terpolymer is relatively high (chain number is 250), the symmetric terpolymers tend to aggregate into a netlike structure linked by an alternation of B and C spheres, whereas the asymmetric terpolymers are likely to aggregate into wormlike micelles (formed by C blocks) connected with some of small spheres (formed by B blocks). Moreover, when the insolubility of insoluble block in the solvent is weak, the insoluble blocks aggregate into some incompact micelles.

Monte Carlo simulation of the aggregation of rod-flexible triblock copolymers in a thin film

The aggregation of rod-flexible ABA and BAB triblock (A was rod block and repulsive with block B) copolymers in a thin film was studied as a function of varying the rigidity (eta) and the length of the rod block by Monte Carlo simulation. The rigidity of block A was defined as eta = R-c/R-max in this study. R-c, was the end-to-end distance below which the conformation of the block was not allowed, whereas R-max, was the longest end-to-end distance that the block could be. If eta = 0 the block was flexible, whereas if eta = 1 the block was a straight rod. The simulation results showed that the ABA triblock copolymer film were likely to form lamella structure with increasing the rigidity (eta) of block A. The lamellas were parallel each other and perpendicular to the film surface. However, the aggregation of BAB triblock copolymers tended to change from lamella to cylinder structure with increasing the rigidity (eta) of block A. Typical lamella and cylinder co-exist structure was obtained at eta = 0.504 for the BAB copolymer film. On the other hand, the simulation results indicated that the film changed from disorder to order, then to disorder structure with increasing the relative length of B block for both ABA and BAB copolymer films.

Monte Carlo simulation of miscibility of polymer blends with repulsive interactions: effect of chain structure

The effects of the chain structure and the intramolecular interaction energy of an A/B copolymer on the miscibility of the binary blends of the copolymer and homopolymer C have been studied by means of a Monte Carlo simulation. In the system, the interactions between segments A, B and C are more repulsive than those between themselves. In order to study the effect of the chain structure of the A/B copolymer on the miscibility, the alternating, random and block copolymers were introduced in the simulations, respectively. The simulation results show that the miscibility of the binary blends strongly depends on the intramolecular interaction energy ((ε) over bar (AB)) between segments A and B within the A/B copolymers. The higher the repulsive interaction energy, the more miscible the A/B copolymer and homopolymer C are. For the diblock copolymer/homopolymer blends, they tend to form micro phase domains. However, the phase domains become so small that the blend can be considered as a homogeneous phase for the alternating copolymer/ homopolymer blends. Furthermore, the investigation of the average end-to-end distance ((h) over bar) in different systems indicates that the copolymer chains tend to coil with the decrease Of (ε) over bar (AB) whereas the (h) over bar of the homopolymer chains depends on the chain structure of the copolymers.