Measurement and analysis of fission rates in a spherical mockup of uranium and polyethylene

Measurements of the reaction rate distribution were carried out using two kinds of Plate Micro Fission Chamber （PMFC）. The first is a depleted uranium chamber and the second an enriched uranium chamber. The material in the depleted uranium chamber is strictly the same as the material in the uranium assembly. With the equation solution to conduct the isotope contribution correction, the fission rate of 238U and 235U were obtained from the fission rate of depleted uranium and enriched uranium. Then, the fission count of 238U and 235U in an individual uranium shell was obtained. In this work, MCNP5 and continuous energy cross sections ENDF/BV.0 were used for the analysis of fission rate distribution and fission count. The calculated results were compared with the experimental ones. The calculation of fission rate of DU and EU were found to agree with the measured ones within 10% except at the positions in polyethylene region and the two positions near the outer surface. Because the fission chamber was not considered in the calculation of the fission counts of 238U and 235U, the calculated results did not agree well with the experimental ones.     

Skin Thickness and β-Crystals Development in Injection-Molded iPP Along the Flow Direction

In this study, iPP was injection molded at 180°C, 200°C, and 220°C. According to polarization optical microscopy (POM) results, for a given part, the skin thickness steadily decreases along the flow direction. However, at the same distance from the gate, the skin thickness of the parts molded at lower melt temperature is larger than that molded at higher melt temperature. It is found that flow time (here, the time taken for melt to pass the specific position along the flow direction) and melt temperature are two significant factors leading to this phenomenon, while the gate size is another one.

The DSC and WAXD results show that the relative fraction of β-form crystals, for a specific part, decreases along the flow direction, which is mainly determined by flow time. However, for the parts molded at different molding temperatures, the fraction of the β-form crystals is mainly determined by the molding temperature, though this influence is very complex.     

The lowest electronic states of Ne2 +, Ar2 + and Kr2 +: comparison of theory and experiment

Non-relativistic configuration interaction (CI) ab initio calculations using large basis sets have been carried out to determine the potential curves of the first electronic states of Ne₂ ⁺, Ar₂ ⁺ and Kr₂ ⁺. The spin—orbit interaction was treated assuming that the spin—orbit coupling constant is independent of the internuclear separation (R). For Ar₂ ⁺, calculated dissociation energies and equilibrium separations are in good agreement with experimental results. The calculations for Ne₂ ⁺ suggest that the lowest vibrational level of the I(1/2u) ground state observed by threshold photoelectron spectroscopy by Hall et al. [1995, J. Phys. B: At. molec. opt. Phys., 28, 2435] and assigned to either ν = 0 or ν = 2 actually corresponds to ν = 4. The calculations also predict the I(1/2g) state of Ne₂ ⁺ and Ar₂ ⁺ to possess a double-well potential and that of Kr₂ ⁺ to be repulsive at short range and to only possess a single shallow well at large internuclear separation. The ab initio calculations provide an explanation for the observation made by Yoshii et al. [2002, J. chem. Phys., 117, 1517] that Kr₂ ⁺ and Xe₂ ⁺ dissociate after photoemission from the II(1/2u) state to the I(1/2g) state whereas Ar₂ ⁺ does not.     

State-to-state quantum dynamics studies of the H + LiH+ → Li+ + H2 reaction

ABSTRACT

Quantum dynamical calculations of the H?+?LiH⁺?→?Li⁺?+?H₂ reaction were performed based on the potential energy surface (PES) reported by Dong et al. (RSC Adv. 7, 7008 (2017)) using the time-dependent quantum wave packet method in collision energy range from 0.01 to 1.0?eV. Dynamics properties such as reaction probability, integral cross section, differential cross section (DCS), and thermal rate constant of the H?+?LiH⁺?→?Li⁺?+?H₂ reaction were reported at the state-to-state level of theory and compared with available theoretical calculations. The results indicated that present values are in good agreement with results obtained from the quasi-classical trajectory method. However, large differences can be found between present values and previous quantum results. This can be attributed to the different PESs used in the calculation and the CS approximation was adopted in previous theoretical studies. In addition, the ‘rebound’ reaction mechanism was proposed in previous theoretical studies in a high collision energy range. However, the DCS scattering signals calculated in the present work indicated that complex-forming and direct abstract reaction mechanisms are dominant in low and high collision energies, respectively.     

Mechanistic study of the reaction of methyl peroxy radical (CH3O2) with formaldehyde (CH2O)

ABSTRACT

A direct dynamic study on the reactions of CH₃O₂?+?CH₂O was carried out over the temperature range of 300–1500?K. All stationary points were calculated with the M06-2X/6-311++G(d,p) level of theory and identified for local minimum. The energetic parameters were refined at QCISD (T)/cc-pVTZ and CCSD (T)/cc-pVTZ levels of theory. Three channels were explored and a reaction of hydrogen abstraction from CH₂O by CH₃O₂ was identified as dominant channel which involves the formation of a prereactive complex in the entrance channel. The rate coefficient of the dominant channel was calculated with TST and TST/Eck and the Eckart tunnelling effect is only important over the lower temperature region. The calculated rate coefficient of the dominant channel has positive temperature dependence and agrees reasonably with the available literature data.     

Effect of varying two key parameters in simulating evacuation for a dormitory in China

Student dormitories are both living and resting areas for students in their spare time. There are many small rooms in the dormitories. And the students are distributed densely in the dormitories. High occupant density is the main characteristic of student dormitories. Once there is an accident, such as fire or earthquake, the losses will be cruel. Computer evacuation models developed overseas are commonly applied in working out safety management schemes. The average minimum widths of corridor and exit are the two key parameters affecting the evacuation for the dormitory. The effect of varying these two parameters will be studied in this paper by taking a dormitory in our university as an example. Evacuation performance is predicted with the software FDS + Evac. The default values in the software are used and adjusted through a field survey. The effect of varying either of the two parameters is discussed. It is found that the simulated results agree well with the experimental results. From our study it seems that the evacuation time is not in proportion to the evacuation distance. And we also named a phenomenon of “the closer is not the faster”. For the building researched in this article, a corridor width of 3 m is the most appropriate. And the suitable exit width of the dormitory for evacuation is about 2.5 to 3 m. The number of people has great influence on the walking speed of people. The purpose of this study is to optimize the building, and to make the building in favor of personnel evacuation. Then the damage could be minimized.     

Time-series analysis of foreign exchange rates using time-dependent pattern entropy

Time-dependent pattern entropy is a method that reduces variations to binary symbolic dynamics and considers the pattern of symbols in a sliding temporal window. We use this method to analyze the instability of daily variations in foreign exchange rates, in particular, the dollar–yen rate. The time-dependent pattern entropy of the dollar–yen rate was found to be high in the following periods: before and after the turning points of the yen from strong to weak or from weak to strong, and the period after the Lehman shock.     

Harmonizing model with transfer tax on water pollution across regional boundaries in a China’s lake basin

This paper presents a bilevel programming framework for a harmonizing model with transfer tax (HMTT) on water pollution across regional boundaries of a lake basin in China, where the administrator is the upper-level decision maker and individual regions consisting of the lake basin are the lower-level decision makers (followers). Leader’s cost is the total pollution reduction cost, whereas each region selfishly minimizes its own cost including reduction cost and transfer cost, given the transfer tax rate imposed by the leader. The HMTT guarantees that the imposed environmental quality standard is met through the transfer tax. Based on the KKT conditions of an auxiliary problem, we obtain that the solution set of the HMTT is nonempty. An algorithm is proposed, with the convergence result, to compute the cost-minimized transfer tax rate along with the reduction quantities of individual regions. Theoretical analysis and a case study for China’s Taihu Lake Basin show that the HMTT is superior to the current model of proportional share of pollution reduction (MPSPR). The HMTT not only solves the problem of conflicts over water pollution across regional boundaries but also utilizes the resources of the lake basin more efficiently.     

Global facility network design in the presence of competition

We study the facility network design problem for a global firm that is a monopolist seller in its domestic market but faces local competition in its foreign market. The global firm produces in the face of demand and exchange rate uncertainty but can postpone localization and distribution of the output until after uncertainties are resolved. The competitor in the foreign market, however, enjoys the flexibility of postponing all production activities until after uncertainties are resolved. The two firms engage in an ex-post Cournot competition in the foreign market. We consider three potential network configurations for the global firm. Under a linear demand function, we provide the necessary and sufficient condition that one of the three networks is the global firm’s optimal choice, and explore how the presence of foreign competition affects the sensitivity of the global firm’s design to various cost parameters and market uncertainties.     

Optimal bond portfolios with fixed time to maturity

We study interest rate models where the term structure is given by an affine relation and in particular where the driving stochastic processes are so-called generalized Ornstein–Uhlenbeck processes.