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Copyright of Experimental Technology & Management is the property of Experimental Technology & Management Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

BackgroundNickel-, iron- and tungsten-based alloys are commonly used as structural materials of reactors. During their operational life, these alloys undergo intense neutron irradiation.PurposeThis study aims to analyze the post-irradiation defect evolution and its mechanisms in these materials for comprehending the effects of irradiation on them.MethodsThe displacement cascades in nickel, iron, and tungsten were examined at various temperatures (300⁓500 K), primary knock-on atom (PKA) energies (, and ) by using molecular dynamics (MD) simulations. Firstly, the model was initially relaxed at each specified temperature under a canonical ensemble for 10 ps, applying periodic boundary conditions in every direction. Then, an atom was randomly chosen as a PKA and assigned kinetic energy to initiate the cascade collision simulation in the micro-canonical ensemble. Finally, the Open Visualization Tool package was employed for visualization and data analysis of the irradiation cascade processes.ResultsThe simulation results reveal that nickel and iron exhibit similar steady-state defects. At lower PKA energies (

Copyright of Atomic Energy Science & Technology is the property of Editorial Board of Atomic Energy Science & Technology and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Atomic & Molecular Physics (1000-0364) is the property of Journal of Atomic & Molecular Physics Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Atomic & Molecular Physics (1000-0364) is the property of Journal of Atomic & Molecular Physics Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Coal Science & Technology (0253-2336) is the property of Coal Science & Technology and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Food Safety & Quality is the property of Journal of Food Safety & Quality Editorial Department and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Experimental Technology & Management is the property of Experimental Technology & Management Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Clean Coal Technology is the property of Clean Coal Technology and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Advances in New & Renewable Energy is the property of Editorial Office of Advances in New & Renewable Energy and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Acta Materiae Compositae Sinica is the property of Acta Materiea Compositae Sinica Editorial Department and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Atomic & Molecular Physics (1000-0364) is the property of Journal of Atomic & Molecular Physics Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Electrochemistry is the property of Journal of Electrochemistry Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

By establishing the molecular structure model of Pingdingshan bituminous coal（Ｃ108Ｈ71Ｏ4Ｎ）, using the grand canonical ensemble Monte Carlo method, the isobaric adsorption curves of the adsorption capacity at temperature of 298.15 and 303.15 K and the adsorption pressure at saturation and the isobaric adsorption curves of 1 point every 10 ℃ between 10 ℃and 70 ℃ were studied at molecular scale. The results show that the physical adsorption capacity of oxygen is negatively correlated with the equal adsorption heat, and positively correlated with low pressure. Adsorption saturation can be achieved at a certain pressure. The adsorption capacity changes relatively little at normal temperature and pressure. The three-dimensional distribution and energy distribution of the density of physical adsorption of oxygen in coal, the diffusion coefficient of O2 molecule in coal, and the influence of aromatic functional groups and fatty functional groups on the physical adsorption of oxygen are obtained. It is found that pyrrole functional groups have a great influence on the adsorption capacity, so as to intuitively understand the behavior of physical adsorption of oxygen by coal.

In order to further clarify the adsorption thermodynamic characteristics of CH4 and CO2 in coal, the giant canonical ensemble Monte Carlo method was used to simulate the adsorption behavior of CH4 and CO2 in coal at different temperatures and different moisture content. The results show that the adsorption capacity of CH4 and CO2 in coal molecules decreases with the increasing temperature and moisture content. By comparing the adsorption amounts of the two components, it is found that both high temperature and the presence of water molecules are not conducive to displace CH4 by CO2; the average adsorption heat of CH4 is negatively correlated with temperature and water content, and average adsorption heat of CO2 has a negative correlation with temperature and a positive correlation with water content. Water molecules are more inclined to react with CO2; the overall adsorption potential of CH4 and CO2 is negatively correlated with temperature and moisture content. When the pressure is low, the adsorption potential of CO2 increases slightly with the increasing of temperature; the adsorption entropy of CH4 and CO2 increases with the increasing of temperature and decreases with the increasing of moisture content. The influence of water on CO2 is stronger than CH4. When two components are injected, the existence of water molecules makes the whole system more stable, which is not conducive to CH4 output.

Copyright of Science Technology & Engineering is the property of Chinese Society of Technology Economics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Shanghai University / Shanghai Daxue Xuebao is the property of Journal of Shanghai University (Natural Sciences) Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Central China Normal University is the property of Huazhong Normal University and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Microscopic mechanism of adsorption heat's generation was expounded systematically. On the basis of the potential energy model, two-energy-state model was got and the computational formula of the corresponding adsorption heat was deduced. On the basis of the grand canonical ensemble theory, the Langmuir monolayer model of statistical mechanics was got, and the computational formula of the corresponding adsorption heat was deduced. This paper cited De Broglie thermal average wavelength, and got the approximate computational formula of adsorption heat based on the Langmuir monolayer model. To compare the two models, it shows that adsorption heat is much affected by the adsorption capacity, adsorption centers and the average distance between molecules, and that we should use different physical models for analysis towards the outer layer of methane (relative to the coal surface) and the inner methane. On the basis of the Langmuir monolayer model, from perspective of adsorption, the fractal features of pore structure and fracture structure was studied, the two-dimensional fiat surface adsorption to the fractal surface adsorption was extended, and a fractal dimension based on De Broglie thermal average wavelength was got. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Shanghai University / Shanghai Daxue Xuebao is the property of Journal of Shanghai University (Natural Sciences) Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Shanghai University / Shanghai Daxue Xuebao is the property of Journal of Shanghai University (Natural Sciences) Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Natural Gas Industry is the property of Natural Gas Industry Journal Agency and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Petroleum Geology & Recovery Efficiency is the property of Petroleum Geology & Recovery Efficiency and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Natural Gas Industry is the property of Natural Gas Industry Journal Agency and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)