A synthetic semi-empirical physical model of secondary electron yield of metals under E-beam irradiation

Calculations of secondary electron yield（SEY） by physical formula can hardly accord with experimental results precisely. Simplified descriptions of internal electron movements in the calculation and complex surface contamination states of real sample result in notable difference between simulations and experiments. In this paper, in order to calculate SEY of metal under complicated surface state accurately, we propose a synthetic semi-empirical physical model. The processes of excitation of internal secondary electron（SE） and movement toward surface can be simulated using this model.This model also takes into account the influences of incident angle and backscattering electrons as well as the surface gas contamination. In order to describe internal electronic states accurately, the penetration coefficient of incident electron is described as a function of material atom number. Directions of internal electrons are set to be uniform in each angle. The distribution of internal SEs is proposed by considering both the integration convergence and the cascade scattering process.In addition, according to the experiment data, relationship among desorption gas quantities, sample ultimate temperature and SEY is established. Comparing with experiment results, this synthetic semi-empirical physical model can describe the SEY of metal better than former formulas, especially in the aspect of surface contaminated states. The proposed synthetic semi-empirical physical model and presented results in this paper can be helpful for further studying SE emission, and offer an available method for estimating and taking advantage of SE emission accurately.

Synthesis of a trimeric lignin model compound composed of a-O-4 and b-O-4 linkages under microwave irradiation

A trimeric lignin model compound composed of α-O-4 and β-O-4 linkages was prepared by the microwave-assisted synthesis, which consisted of three steps： （a） the synthesis of 3-methoxy-4- benzyloxyacetophenone （2） from acetovanillone （1）, （b） the bromination of compound 2 to produce 3- methoxy-4-benzyloxy-α-bromoacetophenone （3）, and （c） followed by a nucleophilic substitution of compound （3） to obtain 3-methoxy-4-benzyloxy-α-（3-methoxy-4-（1-propenyl）phenol）-acetophenone （4）. The target product was characterized by MS, 1H NMR and 13C NMR spectroscopy. It was found that the trimeric compound synthesized can be used as a preferable lignin model compound because it contains guaiacyl structural unit （3-methoxy-4-hydroxy phenyl propane） linked by α-O-4 and β-O-4 linkages. In addition, under the conditions of microwave irradiation, the reaction time of each step is significantly reduced, and the selectivity of target product is greatly improved. The yields of each step and the overall sequence are 95.31%. 87.3%. 90.6% and 75.4% （95.31%× 87.3% × 90.6%）. respectively.

Using vibrational infrared biomolecular spectroscopy to detect heat-induced changes of molecular structure in relation to nutrient availability of prairie whole oat grains on a molecular basis

Background： To our knowledge, there is little study on the interaction between nutrient availability and molecular structure changes induced by different processing methods in dairy cattle. The objective of this study was to investigate the effect of heat processing methods on interaction between nutrient availability and molecular structure in terms of functional groups that are related to protein and starch inherent structure of oat grains with two continued years and three replication of each year.Method： The oat grains were kept as raw（control） or heated in an air-draft oven（dry roasting： DO） at 120 °C for 60 min and under microwave irradiation（MIO） for 6 min. The molecular structure features were revealed by vibrational infrared molecular spectroscopy.Results： The results showed that rumen degradability of dry matter, protein and starch was significantly lower（P 〈0.05） for MIO compared to control and DO treatments. A higher protein α-helix to β-sheet and a lower amide I to starch area ratio were observed for MIO compared to DO and/or raw treatment. A negative correlation（-0.99, P 〈 0.01）was observed between α-helix or amide I to starch area ratio and dry matter. A positive correlation（0.99, P 〈 0.01） was found between protein β-sheet and crude protein.Conclusion： The results reveal that oat grains are more sensitive to microwave irradiation than dry heating in terms of protein and starch molecular profile and nutrient availability in ruminants.

Modeling of Mesoscale Creep Behaviors and Macroscale Creep Responses of Composite Fuels Under Irradiation Conditions

A finite-strain homogenization creep model for composite fuels under irradiation conditions is developed and verified,with the irradiation creep strains of the fuel particles and matrix correlated to the macroscale creep responses,excluding the contributions of volumetric strain induced by the irradiation swelling deformations of fuel particles.A finite element(FE)modeling method for uniaxial tensile creep tests is established with the irradiation effects of nuclear materials taken into account.The proposed models and simulation strategy are numerically implemented to a kind of composite nuclear fuel,and the predicted mesoscale creep behaviors and the macroscale creep responses are investigated.The research results indicate that:(1)the macroscale creep responses and the mesoscale stress and strain fields are all greatly affected by the irradiation swelling of fuel particles,owing to the strengthened mechanical interactions between the fuel particles and the matrix.(2)The effective creep rates for a certain case are approximately two constants before and after the critical fission density,which results from the accelerated fission gas swelling after fuel grain recrystallization,and the effects of macroscale tensile stress will be more enhanced at higher temperatures.(3)The macroscale creep contributions from the fuel particles and matrix depend mainly on the current volume fractions varying with fission density.(4)As a function of the macroscale stress,temperature,initial particle volume fraction and particle fission rate,a multi-variable mathematical model for effective creep rates is fitted out for the considered composite fuels,which matches well with the FE predictions.This study supplies important theoretical models and research methods for the multi-scale creep behaviors of various composite fuels and provides a basis for simulation of the thermal–mechanical behavior in related composite fuel elements and assemblies.

Simulation model for electron irradiated IGZO thin film transistors

An efficient drain current simulation model for the electron irradiation effect on the electrical parameters of amorphous In–Ga–Zn–O（IGZO） thin-film transistors is developed. The model is developed based on the specifications such as gate capacitance, channel length, channel width, flat band voltage etc. Electrical parameters of un-irradiated IGZO samples were simulated and compared with the experimental parameters and 1 kGy electron irradiated parameters. The effect of electron irradiation on the IGZO sample was analysed by developing a mathematical model.

Effect of grain boundary on the mechanical behaviors of irradiated metals: a review

The design of high irradiation-resistant materials is very important for the development of next-generation nuclear reactors. Grain boundaries acting as effective defect sinks are thought to be able to moderate the deterioration of mechanical behaviors of irradiated materials, and have drawn increasing attention in recent years. The study of the effect of grain boundaries on the mechanical behaviors of irradiated materials is a multi-scale problem. At the atomic level, grain boundaries can effectively affect the production and formation of irradiation-induced point defects in grain interiors, which leads to the change of density, size distribution and evolution of defect clusters at grain level. The change of microstructure would influence the macroscopic mechanical properties of the irradiated polycrystal. Here we give a brief review about the effect of grain boundaries on the mechanical behaviors of irradiated metals from three scales: microscopic scale, mesoscopic scale and macroscopic scale.