Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Irais Valencia-Jaime"'
Autor:
Rafael Sarmiento-Pérez, Tiago F T Cerqueira, Irais Valencia-Jaime, Maximilian Amsler, Stefan Goedecker, Silvana Botti, Miguel A L Marques, Aldo H Romero
Publikováno v:
New Journal of Physics, Vol 15, Iss 11, p 115007 (2013)
Intermetallic compounds made of alkali metals and gold have intriguing electronic and structural properties that have not been extensively explored. We perform a systematic study of the phase diagram of one binary system belonging to this family, nam
Externí odkaz:
https://doaj.org/article/6c51d042c21f40e994b1c86d4696a8ac
Autor:
A. Bautista-Hernández, Adam Payne, Alessandra Romero, Matthieu J. Verstraete, Logan Lang, Irais Valencia-Jaime
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Nickel titanium, also know as nitinol, is a prototypical shape memory alloy, a property intimately linked to a phase transition in the microstructure, which allows the meso/macroscopic sample shape to be recovered after thermal cycling. Not much is k
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3cb36335c5ac69934165bee73cbc0697
https://doi.org/10.1021/acs.jpcc.0c10453
https://doi.org/10.1021/acs.jpcc.0c10453
Autor:
Dierk Raabe, Irais Valencia-Jaime, Sobhit Singh, Guillermo Avendaño-Franco, Wilfredo Ibarra-Hernandez, Alessandra Romero, Olivia Pavlic
Publikováno v:
Journal of Alloys and Compounds
First principles calculations have been employed to search for energetically stable structures of the Mg-Li binary system over all possible Mg concentrations. Volume, space group, c/a and b/a ratios, vibrational contribution to the heat capacity, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8186aa02e640418e87a8466dde659514
https://doi.org/10.1016/j.jallcom.2016.08.217
https://doi.org/10.1016/j.jallcom.2016.08.217
Autor:
Olof Gutowski, Alessandra Romero, Frank Uwe Renner, U. Rütt, Irais Valencia-Jaime, Philipp Bach
Publikováno v:
Chemistry of materials 28(9), 2941-2948 (2016). doi:10.1021/acs.chemmater.5b04719
Chemistry of materials 28(9), 2941 - 2948(2016). doi:10.1021/acs.chemmater.5b04719
Significant developments of Li-ion batteries will be necessary to cope with the growing demands in electromobility or home storage of (sustainable) electrical ene
Significant developments of Li-ion batteries will be necessary to cope with the growing demands in electromobility or home storage of (sustainable) electrical ene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b3d45303eddd37c45c66610a337c2e28
https://doi.org/10.1021/acs.chemmater.5b04719
https://doi.org/10.1021/acs.chemmater.5b04719
Publikováno v:
Physical Review B. 97
Using first-principles calculations, we systematically study the elastic stiffness constants, mechanical properties, elastic wave velocities, Debye temperature, melting temperature, and specific heat of several thermodynamically stable crystal struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::558e9c1ca3fb5145fd2c3ee6dc0f90ba
https://doi.org/10.1103/physrevb.97.054108
https://doi.org/10.1103/physrevb.97.054108
Publikováno v:
Electrochimica Acta. 164:81-89
Lithium Ion batteries have to be significantly improved to fulfill the challenging needs in electromobility or large scale energy storage technology. In this context the use of model electrodes such as single-crystals or thin films allows well-define
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a591679a2c581bac93b78c2a620f4912
https://doi.org/10.1016/j.electacta.2015.02.184
https://doi.org/10.1016/j.electacta.2015.02.184
Publikováno v:
Physical Review B. 94
This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant No. ACI-1053575. Additionally, the authors acknowledge the support from Texas Advances Computer Center (TACC) an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::48b53cc41d6cb811c16f5cf656220035
https://doi.org/10.1103/physrevb.94.161116
https://doi.org/10.1103/physrevb.94.161116
Autor:
Silvana Botti, Miguel A. L. Marques, Irais Valencia-Jaime, Rafael Sarmiento-Pérez, Maximilian Amsler, Stefan Goedecker, Alessandra Romero
Publikováno v:
Journal of Alloys and Compounds
Journal of Alloys and Compounds, Elsevier, 2016, 655, pp.147-154. ⟨10.1016/j.jallcom.2015.09.101⟩
Journal of Alloys and Compounds, Elsevier, 2016, 655, pp.147-154. ⟨10.1016/j.jallcom.2015.09.101⟩
We present an ab initio study of the phase diagram of the Li–Si binary system using the minima hopping method for global structural prediction. By varying the chemical composition we obtained the theoretical convex hull, whose vertices are constitu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4703a9149f69d9389def3b76425164e7
https://hal-univ-lyon1.archives-ouvertes.fr/hal-02289451
https://hal-univ-lyon1.archives-ouvertes.fr/hal-02289451
Phase competition and the subsequent phase selection are important characteristics of alloy sys-tems exhibiting numerous states of distinct symmetry but comparable energy. The stoichiometricCo2NiGa Heusler alloy exhibits a martensitic transformation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5c56b91419edd425822a8cbd8f680ac
https://link.aps.org/accepted/10.1103/PhysRevB.92.054107
https://link.aps.org/accepted/10.1103/PhysRevB.92.054107
Publikováno v:
ECS Meeting Abstracts. :40-40
Recent new Li-Ion Battery (LIB) developments include alloy anodes such as Si-Li, and a general trend towards nanostructured components. With technological development LIB were proposed to store energy for stationary applications as well as electromob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::48fed1eb7ea66fce68f0a9d2c24842c4
https://doi.org/10.1149/ma2015-02/1/40
https://doi.org/10.1149/ma2015-02/1/40