Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Viviana P. Ramunni"'
Publikováno v:
Computational Materials Science. 188:110146
This work studies the diffusion of Hydrogen (H) in bcc Fe, containing a high-angle symmetric tilt grain boundary (GB), as a function of both the temperature and the average grain size. For this purpose, we propose a microscopic effective model which
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0eb30ce1b7635626e8d72ace41f5a468
https://doi.org/10.1016/j.commatsci.2020.110146
https://doi.org/10.1016/j.commatsci.2020.110146
Publikováno v:
Materials Chemistry and Physics. 162:659-670
We characterize the atomic mobility behavior driven by vacancies, in bcc and fcc Fe-Cr diluted alloys, using a multi-frequency model. We calculate the full set of the Onsager coefficients and the tracer self and solute diffusion coefficients in terms
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b509119f57936127975c1c9b905b5557
https://doi.org/10.1016/j.matchemphys.2015.06.040
https://doi.org/10.1016/j.matchemphys.2015.06.040
In this work we perform a comparison of atomic diffusion multi-frequency models for h.c.p. lattices. Specifically, in diluted h.c.p. αZr-Nb alloy, we calculate, the tracer self- and impurity diffusion coefficients, with Ghate's eight frequencies mod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::462adbf74806059000b94b5fccfeac7c
https://www.sciencedirect.com/science/article/pii/S0254058417303826
https://www.sciencedirect.com/science/article/pii/S0254058417303826
Autor:
Roberto C Pasianot, Viviana P. Ramunni
Publikováno v:
Computational Materials Science. 48:783-789
The migration mechanisms of small self-interstitial clusters in two models for bcc Molybdenum are studied by computer simulation. The research is pertinent to the stages after collision cascade collapse of radiation damage, when defects diffuse to si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37a342d90fff2c917f5ed120001a2cdb
https://doi.org/10.1016/j.commatsci.2010.03.033
https://doi.org/10.1016/j.commatsci.2010.03.033
Publikováno v:
Physica B: Condensed Matter. 407:3295-3297
The static and dynamic properties of vacancies and interstitials have been studied in the neighbourhood of a (1 1 1)Al/(0 0 1)αU interface using classical atomistic techniques. A suitable interatomic EAM potential for the U–Al system have been use
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::564d2f524fb8dc09b94153ff12115355
https://doi.org/10.1016/j.physb.2011.12.091
https://doi.org/10.1016/j.physb.2011.12.091
Autor:
Viviana P. Ramunni
Impurity diffusion coefficients are entirely obtained from a low cost classical molecular statics technique (CMST). In particular, we show how CMST is appropriate in order to describe the impurity diffusion behavior mediated by a vacancy mechanism. I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de35fff810af4c4a7cc544dd9e0a8972
https://www.sciencedirect.com/science/article/pii/S0927025614004509
https://www.sciencedirect.com/science/article/pii/S0927025614004509
Publikováno v:
Physica B: Condensed Matter. 404:2880-2882
In the context of the density functional theory (DFT), we use the ab-initio electronic structure code, SIESTA, coupled to an economic technique to find activated states (or migration barriers), in order to study atomic defects diffusion through the c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::02d11372ff93ff62d17aa5725a66c4b3
https://doi.org/10.1016/j.physb.2009.06.103
https://doi.org/10.1016/j.physb.2009.06.103
Publikováno v:
ISRN Materials Science.
A numerical finite difference method is developed here to solve the diffusion equation for hydrogen in presence of trapping sites. A feature of our software is that an optimization of diffusion and trapping parameters is achieved via a non linear lea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b1899fb6c8cd5372a8a95b79cfcd0f3
Autor:
Viviana P. Ramunni
Publikováno v:
International Journal of Modern Physics B. 28:1450203
We characterize the solute mobility behavior driven by interstitial mechanism in FCC diluted alloys using a classical molecular static technique (CMS). In the same line of ideas as the multi-frequency model, we calculate the tracer self- and solute d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d510d29b49c5c83dd4c1f51a65323de
https://doi.org/10.1142/s0217979214502038
https://doi.org/10.1142/s0217979214502038