Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Javier Rojas-Nunez"'
Autor:
Javier Rojas-Nunez, Alejandra García-García, Esther A. Huitrón-Segovia, Eduardo M. Bringa, Samuel E. Baltazar
Publikováno v:
Journal of Materials Research and Technology, Vol 30, Iss , Pp 1864-1872 (2024)
Graphene oxide membranes are expected to become one of the most important materials for technological applications due to their highly reactive surface, being directly related to their atomistic configuration. The understanding of its structure and p
Externí odkaz:
https://doaj.org/article/b52788bb27bd4058941b9bf9636c21bc
Autor:
Mario Castro, Samuel E. Baltazar, Javier Rojas-Nunez, Eduardo Bringa, Felipe J. Valencia, Sebastian Allende
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-9 (2022)
Abstract The mechanical and magnetic properties of polycrystalline nanoframes were investigated using atomistic molecular dynamics and micromagnetic simulations. The magneto-mechanical response of Fe hollow-like nanocubes was addressed by uniaxial co
Externí odkaz:
https://doaj.org/article/613ecb3a662240f8885eeaab63e76082
Autor:
Alejandro Prada, Rafael I. González, María B. Camarada, Sebastián Allende, Alejandra Torres, Javiera Sepúlveda, Javier Rojas-Nunez, Samuel E. Baltazar
Publikováno v:
ACS Omega, Vol 7, Iss 3, Pp 2583-2590 (2022)
Externí odkaz:
https://doaj.org/article/2455bf6fd71f4d528bd1142c66666e21
Autor:
Orlando Deluigi, Felipe Valencia, Diego R. Tramontina, Nicolás Amigo, Javier Rojas-Nunez, Eduardo M. Bringa
Publikováno v:
Crystals, Vol 13, Iss 2, p 357 (2023)
There is a growing interest in High Entropy Alloys (HEAs) due to their outstanding mechanical properties. Most simulation studies have focused on face-centered cubic (fcc) HEAs; however, bcc HEAs can offer a larger elastic modulus and plastic yieldin
Externí odkaz:
https://doaj.org/article/9aa91e4c77f149d985ed37e97f0ca99a
Autor:
Javier Rojas-Nunez, A. L. Elias-Arriaga, Samuel E. Baltazar, R. M. Freire, Kazunori Fujisawa, Juliano C. Denardin, L. Troncoso
Publikováno v:
Inorganic Chemistry Frontiers. 7:4902-4912
Noble-metal-based catalysts are the most used nanomaterials to carry out electrochemical reactions, which are commonly applied in fuel cells. This kind of catalyst is expensive and it is worth mentioning that noble metals are scarce. So, nanocatalyst
Autor:
Alejandro Prada, Rafael I. González, María B. Camarada, Sebastián Allende, Alejandra Torres, Javiera Sepúlveda, Javier Rojas-Nunez, Samuel E. Baltazar
Publikováno v:
ACS Omega, Vol 7, Iss 3, Pp 2583-2590 (2022)
Climate change is leading us to search for new materials that allow a more sustainable environmental situation in the long term. Poly(lactic acid) (PLA) has been proposed as a substitute for traditional plastics due to its high biodegradability. Vari
Publikováno v:
The Journal of Physical Chemistry C. 123:30088-30098
Prescreening candidate structures with reliable classical potentials is an effective way to accelerate ab initio ground state searches. Given the growing popularity of machine learning force fields...
Autor:
Juan Escrig, Sebastian Allende, Felipe J. Valencia, Javier Rojas-Nunez, Samuel E. Baltazar, Eduardo M. Bringa, Alejandro Pereira, Rafael I. González, J.L. Palma
Publikováno v:
Computational Materials Science. 168:81-86
The mechanical properties of metallic nanowires and nanotubes were investigated using atomistic molecular dynamics simulations on Ni polycrystalline structures, similar to those experimentally obtained by Atomic Layer Deposition. We studied the respo
Autor:
Rafael I. González, Javier Rojas-Nunez, Miguel Kiwi, Juan Alejandro Valdivia, Samuel E. Baltazar, Max Ramírez, José Rogan, Sebastian Allende, Felipe J. Valencia
Publikováno v:
Inorganic Chemistry Frontiers. 6:1701-1706
Oxygen absorption and the thermal stability of Al147 nanoparticles were studied by means of classical molecular dynamics simulations and Monte Carlo methods. The results suggest that for the studied sizes, oxygen incorporation yields an Al2O3 nanopar
Autor:
Rafael I. González, Miguel Kiwi, Javier Rojas-Nunez, Samuel E. Baltazar, Eduardo M. Bringa, Felipe J. Valencia, Sebastian Allende
Publikováno v:
Scientific Reports
Mechanical properties of nanomaterials, such as nanowires and nanotubes, are an important feature for the design of novel electromechanical nano-architectures. Since grain boundary structures and surface modifications can be used as a route to modify