computer codes for irradiation behavior analysis of a fuel pin and a fuel pin bundle and for coolant thermal-hydraulic analysis were coupled into an integrated code system. In the system, each code provides data requi...
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computer codes for irradiation behavior analysis of a fuel pin and a fuel pin bundle and for coolant thermal-hydraulic analysis were coupled into an integrated code system. In the system, each code provides data required by other codes, and the analyzed results are shared among them. The system allows for the synthesizing of analyses of thermal, chemical, and mechanical behaviors in a fuel subassembly under irradiation. A test analysis was made for a fuel subassembly containing a mixed oxide fuel pin bundle irradiated in a fast reactor. The results of the analysis were presented with transverse cross-sectional images of the fuel subassembly and three-dimensional images of a fuel pin and fuel pin bundle models. For detailed evaluation, various irradiation behaviors of all fuel pins in the subassembly were analyzed and correlated with irradiation conditions.
The explosive power or strength of an energetic material shows its capacity for doing useful work. This work reviews recent developments for prediction of power of energetic compounds. A new user-friendly computer cod...
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The explosive power or strength of an energetic material shows its capacity for doing useful work. This work reviews recent developments for prediction of power of energetic compounds. A new user-friendly computer code is also introduced to predict the relative power of a desired energetic compound as compared to 2,4,6-trinitrotoluene (TNT). It is based on the best available methods, which can be used for different types of energetic compounds including nitroaromatics, nitroaliphatics, nitramines, and nitrate esters. The computed relative powers are consistent with the measured data for some new materials containing complex molecular structures.
Fatigue is a significant degradation mode that affects nuclear power plants around the world.A fewself-designed computer codes have been developed forfatigue analysis. The Nuclear Power Institute of China has finalize...
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Fatigue is a significant degradation mode that affects nuclear power plants around the world.A fewself-designed computer codes have been developed forfatigue analysis. The Nuclear Power Institute of China has finalized an in-house computer code called FAC_NPIC for evaluating fatigue according to international standards. FAC_NPIC extracts stress data from finite element analysis results or manual input and is independent of specific finite element software. The "rubberband" peak-and-valley detection algorithm searches for extreme stress values automatically, and the modified rainflow-3D algorithm captures the features of secondary fluctuations. This paper presents transient combination schemes and how seismic loading effects are handled, as well asexamples of input and output files. A simple benchmark calculationwasconducted and compared with the literature. The results showed that all key features of FAC_NPIC work *** differences in fatigue algorithms, good agreement with thestandards was achieved.
The prediction of phase change properties of energetic materials is important for the assessment of hazardous energetic materials. A novel user-friendly computer code, written in Visual Basic, is introduced to predict...
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The prediction of phase change properties of energetic materials is important for the assessment of hazardous energetic materials. A novel user-friendly computer code, written in Visual Basic, is introduced to predict the melting point and the enthalpy of fusion of energetic materials by only using their molecular structure parameters. It can be used for different types of energetic compounds including polynitro arenes, polynitro heteroarenes, acyclic and cyclic nitramines, nitrate esters, and nitroaliphatic. The predicted results were compared with several of the best available methods, which confirmed the higher reliability of the new computer code for some new and well-known energetic compounds with complex molecular structures. This code can be used for designing of energetic compounds with desirable phase change properties.
The condensed phase heat of formation of organic compounds as well as ionic liquids or salts is an important thermodynamic parameter for the evaluation of their energy contents, performances, and sensitivities. For us...
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The condensed phase heat of formation of organic compounds as well as ionic liquids or salts is an important thermodynamic parameter for the evaluation of their energy contents, performances, and sensitivities. For using these materials as components of fuels, propellants or explosives, chemical industries should produce the compounds with high positive heat of formation because they can provide high heat of combustion or detonation performance. In contrast, their thermodynamic stability may decrease with higher positive values in their heats of formation. Experimental values of the condensed phase heats of formation for high energy content-neutral and ionic compounds are scarce in the literature. This work reviews reliable models for prediction of the condensed phase heat of formation of important classes of organic and ionic liquid energetic compounds. A novel easy to handle and user-friendly computer code is introduced for prediction of the condensed phase heat of formation using suitable and reliable predictive methods. The reliability of the new computer code is checked for organic compounds containing energetic groups -O-O-, N-3, -ON=O, -NO2, -ONO2 and -NNO2 as well as high nitrogen content materials and imidazolium- or triazolium-based ionic liquids (or salts). The values of the root mean square (rms) deviations of the condensed phase heat of formation by the new computer code/quantum mechanical approaches for 11 neutral energetic organic compounds, 14 high-N content compounds, and 72 imidazolium- and triazolium-based energetic ionic liquids or salts are 45.8/78.0, 79.4/105.3, and 39.8/318.7 kJ/mol, respectively. Thus, the reliability of the outputs the new computer code is higher than the computed results from complex quantum mechanical methods, especially for imidazolium- and triazolium-based energetic ionic liquids or salts, wherein they need high-speed computers, specific computer codes and expert users. (C) 2020 Elsevier B.V. All rights reserved.
In this work, the detonation wave parameters (i.e., the velocity of detonation and the detonation pressure) of aluminized explosives were calculated by the algorithm and computer code (named DETO). DETO is established...
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In this work, the detonation wave parameters (i.e., the velocity of detonation and the detonation pressure) of aluminized explosives were calculated by the algorithm and computer code (named DETO). DETO is established based on the chemical equilibrium theory of detonation products, the hydrodynamic theory of the detonation process, and the Becker -Kistiakowsky -Wilson (BKW) equation of state. The aluminum content that reacts with detonation products on the detonation wavefront can be customized according to the user's assumptions. Compared to experimental data for several aluminized explosive types, the results calculated by DETO have the same, even higher accuracy than those calculated by other computer codes previously published. Specifically, the mean absolute deviation from experimental data is about 2 % for the velocity of detonation (VOD) and about 8 % for the pressure on the detonation wavefront. In addition, the study also confirmed that about 50 % of Al powders participate in the reaction on the detonation wavefront. The software can help researchers select the composition of explosives with and without aluminum according to the given detonation characteristics.
The FACE computer code was developed to calculate postulated solvent fire behavior in the extraction process of a nuclear fuel reprocessing plant. The FACE code calculates temperature, pressure, and off-gas flow rate ...
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The FACE computer code was developed to calculate postulated solvent fire behavior in the extraction process of a nuclear fuel reprocessing plant. The FACE code calculates temperature, pressure, and off-gas flow rate by one- and two-dimensional thermofluid analyses. The code uses this information to evaluate the safety of the associated air ventilation system as demonstrated by its ability to confine the fire-generated radioactive particles by transport, deposition, and filtration of smoke. The mathematical models in FACE were verified by comparison of FACE calculations with the results of Japan Atomic Energy Research Institute fire demonstration tests simulating a hypothetical solvent fire accident in the extraction process.
Crystal density and enthalpy of formation of the condensed phase of energetic compounds are two important input parameters for the performance prediction in several computer codes for rapid hazard assessment of energe...
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Crystal density and enthalpy of formation of the condensed phase of energetic compounds are two important input parameters for the performance prediction in several computer codes for rapid hazard assessment of energetic materials. A novel easy-to-handle user-friendly computer code in Visual Basic is introduced to predict these parameters for various energetic compounds including nitroaliphatics, nitrate esters, nitramines, polynitroarenes, and polynitroheteroarenes. The calculated values can be used as inputs for other thermochemical/hydrodynamic computer codes. This computer code is also able to calculate the activation energies of thermal decomposition of polynitroarenes and nitramines in condensed state. The number of carbon, hydrogen, oxygen, and nitrogen atoms and specification of some molecular fragments are input parameters for this code without using any experimental data. The new algorithms on the base of easy-to-get input parameters are tested for some new energetic compounds, which provide more reliable results as compared to the best available methods.
According to a mathematical model which describes the curing process of composites constructed from continuous fiber-reinforced, thermosetting resin matrix prepreg materials, and the consolidation of the composites, t...
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According to a mathematical model which describes the curing process of composites constructed from continuous fiber-reinforced, thermosetting resin matrix prepreg materials, and the consolidation of the composites, the solution method to the model is made and a computer code is developed, which for flat-plate composites cured by a specified cure cycle, provides the variation of temperature distribution, the cure reaction process in the resin, the resin flow and fibers stress inside the composite, the void variation and the residual stress distribution.
We developed a compact computer code for calculating ion speciation in aqueous solutions based on an algorithm reported by Leung et al. (Talanta, 35, 713-718 (1988)). The program reads a set of analytical data of pH, ...
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We developed a compact computer code for calculating ion speciation in aqueous solutions based on an algorithm reported by Leung et al. (Talanta, 35, 713-718 (1988)). The program reads a set of analytical data of pH, total component concentrations, and the atmospheric CO2 pressure and iteratively calculates activities and concentrations of the components and complexes. In the present version of the program, only 14 components and 41 derived species are considered, but the number and kind of species can easily be changed simply by rewriting a file for inputting the number and names of species. stoichiometric coefficients of complexation reactions, and their equilibrium constants. The solution converged within a relative error of 0.01% usually after 8 iterations.
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