Thermodynamic analysis of molten alkali halide mixtures by molecular dynamic simulations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.113758
Abstract: Abstract We performed molecular dynamics (MD) simulations to estimate the thermodynamics of alkali halide mixtures as part of the safety analysis of advanced nuclear systems. We optimized specific parameters of Cs and F for a… read more here.
Keywords: thermodynamics; halide mixtures; analysis; alkali halide ... See more keywords
Alkali halide force fields: Utilizing the melting temperature
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.117575
Abstract: Abstract Alkali and halide ions are seemingly simple chemical particles: spheres with plus or minus charges of 1 esu. There is, however, a large set of properties impossible to predict by this simple model. Molecular… read more here.
Keywords: melting temperature; fields utilizing; alkali halide; halide force ... See more keywords
Study of Alkali Halide Solid Solutions by Scanning Electron Microscopy and X-ray Diffraction
Sign Up to like & getrecommendations! Published in 2017 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927617005335
Abstract: Alkali halide materials are ionic crystals with the chemical formula MX, where M is an alkali metal (Li, Na, K, Rb, Cs) and X is a halogen (F, Cl, Br, I). They can form solid… read more here.
Keywords: solutions scanning; microscopy; alkali halide; halide solid ... See more keywords
Efficiency of H center stabilization in alkali halide crystals at low-temperature uniaxial deformation
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DOI: 10.1063/10.0002469
Abstract: The efficiency of stabilization of H centers as well as its dependence on the degree of uniaxial deformation are considered within the framework of the modified geometric model of alkali halides. It is shown that… read more here.
Keywords: uniaxial deformation; stabilization; alkali halide; halide crystals ... See more keywords
Detection of defects binding free polarons in colored alkali halide crystals
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DOI: 10.1134/s1063783417030180
Abstract: The assumption has been made that defects binding free polarons in colored alkali halide crystals are F'-center, i.e., defects that slow down the motion of dislocations (photoplastic effect). This assumption has been confirmed by the… read more here.
Keywords: polarons colored; binding free; alkali halide; halide crystals ... See more keywords
Porous 8YSZ Ceramics Prepared with Alkali Halide Sacrificial Additives
Sign Up to like & getrecommendations! Published in 2023 at "Materials"
DOI: 10.3390/ma16093509
Abstract: 8 mol% Y2O3-stabilized ZrO2 (8YSZ) ceramics were prepared with KCl and LiF additions to obtain porous specimens with high skeletal density. Thermogravimetric and differential thermal analyses (TG/DTA) were carried out on 8YSZ and on 8YSZ… read more here.
Keywords: halide; ceramics prepared; kcl lif; alkali halide ... See more keywords