Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Luis G.V. Gonçalves"'
Publikováno v:
Journal of Molecular Liquids. 285:488-499
A systematic comparison of structural, thermodynamical and kinetic properties of silicon by molecular dynamics simulation was done using five interatomic potentials, namely the Stillinger-Weber (SW) model, the environment-dependent interatomic potent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::41940d4baaf1868c7425d3d74ea1f0f9
https://doi.org/10.1016/j.molliq.2019.04.076
https://doi.org/10.1016/j.molliq.2019.04.076
Autor:
José Pedro Rino, Luis G.V. Gonçalves
Publikováno v:
Computational Materials Science. 130:98-102
In this work we study the finite size effects on bulk properties of an atomistic model of ferroelectric barium titanate. The interaction potential is based on the core-shell model, which confers polarizability to ions, and a long range electrostatic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d01ad870b7d7b2ac9cc8cb6b66280993
https://doi.org/10.1016/j.commatsci.2017.01.004
https://doi.org/10.1016/j.commatsci.2017.01.004
Publikováno v:
The Journal of Physical Chemistry B. 116:1356-1359
This work addresses the question on how the glass-forming ability (GFA) of a binary Pd-Ni metallic glass can be enhanced by the alloying effect of Pt. The structural features and slow dynamics of liquid and glassy states on both alloys are investigat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::993d139ec24beb950712be7ed25e1d34
https://doi.org/10.1021/jp208244n
https://doi.org/10.1021/jp208244n
Autor:
R Placeres-Jiménez, José Antonio Eiras, J. P. Rino, Luis G.V. Gonçalves, B. Fraygola, William Junior do Nascimento
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 24(47)
Pulse-echo ultrasonic measurements of elastic coefficients of CaTiO(3) show anomalous behavior around 200 K, with a notable rise in the attenuation coefficient. Molecular dynamics simulation is used to simulate the elastic response of a mono-domain (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49757fee58731c9a0ae2888474d1ea93
https://pubmed.ncbi.nlm.nih.gov/23089937
https://pubmed.ncbi.nlm.nih.gov/23089937
Autor:
José Pedro Rino, Luis G.V. Gonçalves
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a realistic intera
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d2b11047bb70c6d1fc3eae0c77b7c5e
http://arxiv.org/abs/1107.0760
http://arxiv.org/abs/1107.0760
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 23(5)
An effective interatomic potential consisting of two- and three-body covalent interactions is used here to study the properties of gallium phosphide by molecular dynamics simulations. The many-body interatomic potential accounts for the energy scale,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d00eebb7c0bab1350ee9a37325250154
https://pubmed.ncbi.nlm.nih.gov/21406914
https://pubmed.ncbi.nlm.nih.gov/21406914
Autor:
José Pedro Rino, Luis G.V. Gonçalves
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 22(45)
We present a study about the crystallization behavior of a two-dimensional particle system via molecular dynamics simulation. The interaction potential used here is a modified version of the Lennard-Jones potential which has the square lattice as the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6f7cfab1de8e3806c105822578080b3
https://pubmed.ncbi.nlm.nih.gov/21339626
https://pubmed.ncbi.nlm.nih.gov/21339626
Publikováno v:
Physical Review B. 79
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f8b03f16ec7b3989a9658765b2b20582
https://doi.org/10.1103/physrevb.79.104109
https://doi.org/10.1103/physrevb.79.104109