Now showing items 1-20 of 30

    • Arancibia Miranda, Nicolás; Escudey, Mauricio; Ramírez, Ricardo; González, Rafael; van Duin, Adri C. T.; Kiwi Tichauer, Miguel (ACS Publications, 2017)
      The effects of Na/K substitution during the synthesis of imogolite nanotubes (NTs) were studied using a combination of structural and surface analyses. These were complemented with molecular dynamics (MD) and DFT computational ...
    • Gonzalez, Rafael I.; Valencia, F.; Rogan Castillo, José; Valdivia Hepp, Juan; Sofo, Jorge; Kiwi Tichauer, Miguel; Muñoz, Francisco (Royal Soc Chemistry, 2018)
      The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS2), and imogolite. For graphene we obtained 3.43 eV angstrom(2) per atom for the bending ...
    • Torres, Felipe; Kiwi Tichauer, Miguel; Vargas, Nicolás M.; Monton, Carlos; Schuller, Iván K. (The American Institute of Physics, 2020)
      The effects of the Dzyaloshinsky-Moriya interaction on finite size one-dimensional (1D) magnetic chains are investigated as a function of their length. The magnetic configuration the system adopts for varying boundary ...
    • Valencia, Felipe; Mella, José D.; González, Rafael I.; Kiwi Tichauer, Miguel; Bringa, Eduardo M. (Elsevier, 2015)
      Swift heavy ion irradiation does not generate amorphous tracks in diamond, contrary to what happens in graphite or in diamond-like carbon. Since nanocrystalline diamond is of interest for several technological applications ...
    • Elzo, Marta; Moubah, Reda; Blouzon, Camille; Sacchi, Maurizio; Grenier, Stéphane; Belkhou, Rachid; Dhesi, Sarnjeet; Colson, Dorothée; Torres Sánchez, Felipe; Kiwi Tichauer, Miguel; Viret, Michel; Jaouen, Nicolas (Amer Physical Soc, 2015)
      Multiferroic materials are mostly antiferromagnets, often containing incommensurate magnetic arrangements stemming from the magnetoelectric interaction. Using soft x-ray resonant magnetic scattering, we show that these ...
    • Torres Sánchez, Felipe; Morales, Rafaél; Schuller, Ivan K.; Kiwi Tichauer, Miguel (Royal Society Chemistry, 2017)
      The discovery of dipole-induced exchange bias (EB), switching from negative to positive sign, is reported in systems where the antiferromagnet and the ferromagnet are separated by a paramagnetic spacer (AFM-PM-FM). The ...
    • So, Kang Pyo; Chen, Di; Kushima, Akihiro; Li, Mingda; Kim, Sangtae; Yang, Yang; Wang, Zigiang; Park, Jong Gil; Lee, Young Hee; González, Rafael I.; Kiwi Tichauer, Miguel; Bringa, Eduardo M.; Shao, Lin; Li, Ju (Elsevier, 2016)
      We can mass-produce metal/carbon nanotube (CNT) composites that show improved radiation tolerance. The 0.5 wt% Al+CNT composite showed improved tensile strength without reduction of tensile ductility before radiation, and ...
    • Ramírez González, Max; Rogan Castillo, José; Valdivia Hepp, Juan; Varas, Alejandro; Kiwi Tichauer, Miguel (Walter de Gruyter, 2016)
      We characterize, by means of the definition of a generalized distance, the differences and similarities between binary nanoclusters. To define analytically, and to compute numerically this distance, we have generalized an ...
    • González Oyarce, Anibal Lautaro (Universidad de ChileCyberDocs, 2010)
    • Montoya, I.; Torres Sánchez, Felipe; Redondo, C.; Kiwi Tichauer, Miguel; Schuller, Iván K.; Morales R., Mónica (American Institute of Physics, 2020)
      An enhanced exchange bias was found in FeF2/Ni interfaces by inserting dusting of Pd and Cu atoms. We have used an ultrathin wedge to investigate systematically the effect of a discontinuous nonmagnetic spacer between the ...
    • Poblete Fuentes, Simón David (Universidad de Chile, 2006)
      El ob jetivo de nuestro trabajo es contribuir al estudio de la transición sólido-líquido en sistemas bidimensionales. Particularmente, pretende contrastar resultados numéricos generados por simulaciones de dinámica ...
    • Clark, Jaime; Kiwi Tichauer, Miguel; Torres Sánchez, Felipe; Rogan Castillo, José; Valdivia Hepp, Juan (American Physical Society, 2015)
      The Ehrenfest urn model is extended to a complex directed network, over which a conserved quantity is transported in a random fashion. The evolution of the conserved number of packets in each urn, or node of the network, ...
    • Vargas, Nicolás M.; Torres, Felipe; Baker, Alexander A.; Lee, Jonathan R. I.; Kiwi Tichauer, Miguel; Willey, Trevor M.; Monton, Carlos; Schuller, Iván K. (American Institute of Physics, 2020)
      We have compared the magnetic properties of well-controlled ultra-short (<= 50nm) atomic iron (Fe) chains embedded in Fe-phthalocyanine films with those in Fe-hydrogen (H-2) phthalocyanine superlattices. Surprisingly, we ...
    • Díaz Valencia, Felipe; González, Rafael I.; Bringa, Eduardo M.; Kiwi Tichauer, Miguel (Elsevier, 2017-08)
      Hillock formation on nanocrystalline (nc) diamond under swift heavy ion irradiation is studied by means of classical molecular dynamics. The irradiation is simulated by means of a thermal spike model, the nc samples include ...
    • Valencia, Felipe; González, Rafael I.; Tramontina, Diego; Rogan Castillo, José; Valdivia Hepp, Juan; Kiwi Tichauer, Miguel; Bringa, Eduardo (American Chemical Society, 2016-10-20)
      The potential and properties of palladium hollow nano particles (hNPs) as a possible H storage material are explored by means of classical molecular dynamics (MD) simulations. First, we study the stability of pure Pd hNPs ...
    • González, Rafael I.; Rojas Núñez, Javier; Valencia, Felipe; Muñoz Sáez, Francisco; Baltazar, Samuel; Allende, Sebastián; Rogan Castillo, José; Valdivia Hepp, Juan; Kiwi Tichauer, Miguel; Ramírez, Ricardo; Greathouse, Jeffery A. (Elsevier, 2020)
      Imogolite is a fascinating inorganic nanotube that is found in nature or synthesized in a laboratory. The synthesis process is carried out in liquid media, and leads to the formation of almost monodisperse diameter nanotubes. ...
    • Valencia, Felipe J.; González, Rafael I.; Valdivia Hepp, Juan; Kiwi Tichauer, Miguel; Bringa, Eduardo M.; Rogan Castillo, José (American Chemical Society, 2017)
      The large surface-to-volume ratio of hollow palladium nanoparticles (hNPs) offers room to improve their hydrogen storage capacity as well as their catalytic activity. However, a less explored possibility is to use, in ...
    • Shiryaev, Andrey A.; Hinks, Jonathan A.; Marks, Nigel A.; Greaves, Graeme; Valencia, Felipe J.; Donnelly, Stephen E.; Gonzalez, Rafael I.; Kiwi Tichauer, Miguel; Trigub, Alexander L.; Bringa, Eduardo M.; Fogg, Jason L.; Vlasov, Igor I. (Nature Publishing Group, 2018)
      Nanoparticles are ubiquitous in nature and are increasingly important for technology. They are subject to bombardment by ionizing radiation in a diverse range of environments. In particular, nanodiamonds represent a variety ...
    • Valencia, Felipe; González, Rafael; Vega, H.; Ruestes, Carlos; Rogan Castillo, José; Valdivia, Juan; Bringa, Eduardo; Kiwi Tichauer, Miguel (American Chemical Society, 2018)
      Palladium nanoparticles are technologically important for catalysis, hydrogen storage, and many other applications. Here, we investigate the mechanical properties of Pd hollow nanoparticles of different sizes and thicknesses ...
    • Munizaga, Vicente; Ramírez, Ricardo; Kiwi Tichauer, Miguel; García, Griselda (American Institute of Physics, 2017)
      The deformation process of Fe encapsulated in a carbon nanotube (CNT) is investigated by means of classical molecular dynamics. The [100], [110], and [111] Fe crystal orientations parallel to the CNT symmetry axis, as well ...