Zobrazeno 1 - 10
of 24
pro vyhledávání: '"M. Kotbi"'
Publikováno v:
Condensed Matter Physics, Vol 16, Iss 1, p 13602 (2013)
The choice of appropriate interaction models is among the major disadvantages of conventional methods such as Molecular Dynamics (MD) and Monte Carlo (MC) simulations. On the other hand, the so-called Reverse Monte Carlo (RMC) method, based on experi
Externí odkaz:
https://doaj.org/article/00cdd2c7dd6f42168cf7a7280f25b88b
Publikováno v:
Revista Mexicana de Física. 66:258-264
A detailed analysis of the hydration shells of the 9.26 molal LiCl aqueous solution at the intermediate metastable thermodynamic state between the liquid (300 k) and the glass (120 k). The structural modelling of the LiCl6H2O at the supercooled-liqui
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::422c0f24bf13494276beaa32dd375623
https://doi.org/10.31349/revmexfis.66.258
https://doi.org/10.31349/revmexfis.66.258
Publikováno v:
Revista Mexicana de Física. 67
The Hybrid Reverse Monte Carlo (HRMC) simulation has been widely used as a very useful method for displaying the pair partial distribution functions (PDFs) g(r) eliminating as soon as possible the artificial satellite peaks appear by the RMC simulati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::55296f3e0f4f5524d176cbede08d79d1
https://doi.org/10.31349/revmexfis.67.061001
https://doi.org/10.31349/revmexfis.67.061001
Publikováno v:
International Journal of Modern Physics C. 33
Employing the Hybrid Reverse Monte Carlo (HRMC) simulation, we compute, using the obtained three-dimensional configurations, the orientational correlations of water molecules in the supercooled 9.26 molal LiCl aqueous solution. This study aims to add
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f5c0930c3a00884180586fa43ad92a5
https://doi.org/10.1142/s0129183122500218
https://doi.org/10.1142/s0129183122500218
Publikováno v:
Physics Letters A. 315:463-466
A recent simulation method called reverse Monte Carlo (RMC) applicable without interaction potential is used to study the aqueous electrolyte system LiCl6H2O. Artifacts are appeared in some pair distribution functions particularly a small pick nea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::52d7274792cce8c8efc376bdf79f6dc4
https://doi.org/10.1016/s0375-9601(03)01014-4
https://doi.org/10.1016/s0375-9601(03)01014-4
Publikováno v:
IOP Conference Series: Materials Science and Engineering. 186:012010
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d4c20a5dd31a01c9c9228a00ffcb4638
https://doi.org/10.1088/1757-899x/186/1/012010
https://doi.org/10.1088/1757-899x/186/1/012010
Publikováno v:
Molecular Physics. 94:373-384
Based on partial pair correlation functions obtained from neutron scattering experiments and on specific geometric constraints, a reverse Monte Carlo simulation of the electrolyte aqueous solution LiCl.6H2O in the liquid and glassy states has been pe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6d88263d99df44fdba1400b14252c27
https://doi.org/10.1080/002689798168259
https://doi.org/10.1080/002689798168259
Publikováno v:
Chemical Physics Letters. 248:89-94
A reverse Monte Carlo simulation of liquid water at room temperature is made by fitting the partial pair correlation functions of our model system to those obtained from neutron scattering experiments. The atoms in a molecule are held together by non
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afaac3e2ac486663e4b420b1f69b7536
https://doi.org/10.1016/0009-2614(95)01283-4
https://doi.org/10.1016/0009-2614(95)01283-4
Publikováno v:
The European Physical Journal B. 85
The reverse Monte Carlo (RMC) simulation is applied in the study of an aqueous electrolyte LiCl6H2O. On the basis of the available experimental neutron scattering data, RMC computes pair radial distribution functions in order to explore the structura
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e02350e1cc3e9db587a086c9963d81fa
https://doi.org/10.1140/epjb/e2012-21027-2
https://doi.org/10.1140/epjb/e2012-21027-2
A structural study of an aqueous electrolyte whose experimental results are available. It is a solution of LiCl-6H2O type at glassy state (120K) contrasted with pure water at room temperature by means of Partial Distribution Functions (PDF) issue fro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::367b477f9fc5cd2b4c77307ec1df9e7a
