Zobrazeno 1 - 10
of 33
pro vyhledávání: '"D. H. Linares"'
Publikováno v:
Papers in Physics, Vol 1, Iss 0, p 010005 (2009)
Using Monte Carlo simulations and finite-size scaling analysis, the critical behavior of attractive rigid rods of length $k$ ($k$-mers) on square lattices at intermediate density has been studied. A nematic phase, characterized by a big domain of par
Externí odkaz:
https://doaj.org/article/32862005991b47b0a49726d9c84ae83f
Autor:
Eduardo M. Bringa, Julien Tranchida, R. Aparicio, E.N. Miranda, G. M. Pastor, G. J. dos Santos, D. H. Linares
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
The magnetic behavior of bcc iron nanoclusters, with diameters between 2 and 8 nm, is investigated by means of spin dynamics simulations coupled to molecular dynamics, using a distance-dependent exchange interaction. Finite-size effects in the total
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e7f2cc64e014bef822ae42ae99ad8c9
https://doi.org/10.1103/physrevb.102.184426
https://doi.org/10.1103/physrevb.102.184426
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
The phase behaviour of aligned rigid rods of length k (k-mers) adsorbed on two-dimensional square lattices has been studied by Monte Carlo (MC) simulations and histogram reweighting technique. The k-mers, containing k identical units (each one occupy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f2d02b6009960518a9b8c3db0f93630
https://doi.org/10.1016/j.physa.2017.12.065
https://doi.org/10.1016/j.physa.2017.12.065
Autor:
D. H. Linares, Elizabeth del V. Gómez, Lucía B. Avalle, M. Cecilia Gimenez, S. Amaya-Roncancio
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
An extensive study of adsorption and diffusion of hydrogen atoms on (100) surfaces of fcc Au, Cu, Ag and Pt was performed by means of DFT calculations. Bulk properties of those metals were calculated and compared with previous results. The adsorption
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d867faea874d305db44b69df6e48676e
https://doi.org/10.1016/j.apsusc.2017.05.032
https://doi.org/10.1016/j.apsusc.2017.05.032
Autor:
María Fernández, Begoña Redruello, Miguel A. Alvarez, Victor Ladero, Beatriz del Rio, D. H. Linares, Maria Cruz Martin
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Lactococcus lactis subsp. cremoris CECT 8666 is a lactic acid bacterium that synthesizes the biogenic amine putrescine from agmatine via the agmatine deiminase (AGDI) pathway. The AGDI genes cluster includes aguR. This encodes a transmembrane protein
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61f77a571e3c6544f786e967f7522086
https://doi.org/10.1016/j.ijfoodmicro.2016.07.021
https://doi.org/10.1016/j.ijfoodmicro.2016.07.021
Publikováno v:
The Journal of Physical Chemistry C. 120:10830-10837
DFT calculations using the GGA-PBE exchange correlation functional were used to investigate the effect of the hydrogen in the assisted CO dissociation on the Fe(100) surface. The formation mechanisms of the primary products CH, OH, CH2, and H2O invol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5879468a07037f55eeda58b018665a78
https://doi.org/10.1021/acs.jpcc.5b12014
https://doi.org/10.1021/acs.jpcc.5b12014
Publikováno v:
Journal of Molecular Structure. 1201:127188
Microkinetic modelling in conjunction with Kinetic Monte Carlo (KMC) simulations were employed to study the direct versus hydrogen-assisted dissociation of CO on iron surfaces. For the activation barriers of the reactions, DFT documentation was consi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3851b7152eaeb6bbb5bbd656d56de711
https://doi.org/10.1016/j.molstruc.2019.127188
https://doi.org/10.1016/j.molstruc.2019.127188
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
In a previous paper [G. J. dos Santos, D. H. Linares, and A. J. Ramirez-Pastor, J. Stat. Mech. (2017) 07321110.1088/1742-5468/aa7df2] a methodology for the determination of the critical point of the condensation phase transition occurring in monolaye
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b462bedbcd80740e0dbc5511c7193c4
https://journals.aps.org/pre/abstract/10.1103/PhysRevE.98.032134
https://journals.aps.org/pre/abstract/10.1103/PhysRevE.98.032134
DFT calculations with the GGA-PBE exchange correlation functional were used to study H 2 adsorption on a Ni(1 1 1) surface, isolated Ni 13 cluster, and graphene-supported Ni 13 . In comparison with Ni(1 1 1), hydrogen adsorption shows to be more stab
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ea9bd299c691c84641a547dcdedbb06
https://www.sciencedirect.com/science/article/pii/S0169433218309292?via=ihub
https://www.sciencedirect.com/science/article/pii/S0169433218309292?via=ihub
Publikováno v:
Langmuir. 27:2456-2463
The adsorption of long, straight rigid rods of length k (k-mers) on 2D lattices is described by using a new theoretical approach based on a generalization of the classical Guggenheim−DiMarzio approximation. In this scheme, the Helmholtz free energy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9b5a8a83a92f2359b0441f202432312
https://doi.org/10.1021/la104122h
https://doi.org/10.1021/la104122h