Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Alaa Fahs"'
Publikováno v:
Advanced Physics Research, Vol 2, Iss 10, Pp n/a-n/a (2023)
Abstract Understanding phase transformation processes at the nanoscale is an important step for the integration of phase change materials into functional nanodevices. Here, a numerical method to assess surface energy and surface stress contributions
Externí odkaz:
https://doaj.org/article/98963c9cc948434a8a1ad29914cf86cf
Publikováno v:
Magnetochemistry, Vol 7, Iss 2, p 27 (2021)
Size reduction effects on the lattice dynamics of spin crossover (SCO) thin films have been investigated through molecular dynamics (MD) simulations of the density of vibrational states. The proposed simple model structure and reduced force field all
Externí odkaz:
https://doaj.org/article/e4b86199861044d0a0d573489c3baac0
Publikováno v:
Chemical Physics Letters
Chemical Physics Letters, 2023, 811, pp.140232. ⟨10.1016/j.cplett.2022.140232⟩
Chemical Physics Letters, 2023, 811, pp.140232. ⟨10.1016/j.cplett.2022.140232⟩
International audience; An empirical molecular mechanics force field has been built for the [Fe(pyrazine)][Ni(CN)4] spin crossover complex using Raman spectroscopic and nuclear inelastic scattering data. Based on this force field, molecular dynamics
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a658baa23368b4aa31ab98950c129f5
https://hal.science/hal-03936408
https://hal.science/hal-03936408
Publikováno v:
Magnetochemistry, Vol 7, Iss 27, p 27 (2021)
Magnetochemistry
Magnetochemistry, MDPI, 2021, 7 (2), pp.27. ⟨10.3390/magnetochemistry7020027⟩
Magnetochemistry; Volume 7; Issue 2; Pages: 27
Magnetochemistry, 2021, 7 (2), pp.27. ⟨10.3390/magnetochemistry7020027⟩
Magnetochemistry
Magnetochemistry, MDPI, 2021, 7 (2), pp.27. ⟨10.3390/magnetochemistry7020027⟩
Magnetochemistry; Volume 7; Issue 2; Pages: 27
Magnetochemistry, 2021, 7 (2), pp.27. ⟨10.3390/magnetochemistry7020027⟩
International audience; Size reduction effects on the lattice dynamics of spin crossover (SCO) thin films have been investigated through molecular dynamics (MD) simulations of the density of vibrational states. The proposed simple model structure and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da3370e6fb8857726136cb58025b85c1
https://www.mdpi.com/2312-7481/7/2/27
https://www.mdpi.com/2312-7481/7/2/27
Autor:
Azzedine Bousseksou, Alaa Fahs, William Nicolazzi, Mirko Mikolasek, Gábor Molnár, Karl Ridier
Publikováno v:
Annalen der Physik
Annalen der Physik, Wiley, 2019, 531 (10), pp.1900076. ⟨10.1002/andp.201900076⟩
Annalen der Physik, Wiley, 2019, 531 (10), pp.1900076. ⟨10.1002/andp.201900076⟩
International audience; The lattice dynamical aspects of the spin crossover phenomenon in molecular solids—displaying intricate couplings between the electronic spin state of the molecules and the lattice properties—are reviewed. Emphasis is on e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::94890b893c3684bbbbbf17abc69d01e3
https://hal.archives-ouvertes.fr/hal-02368252
https://hal.archives-ouvertes.fr/hal-02368252