Zobrazeno 1 - 10
of 3 963
pro vyhledávání: '"atomistic simulation"'
Autor:
A. Rezaei Sameti
Publikováno v:
مهندسی عمران شریف, Vol 40, Iss 1, Pp 91-98 (2024)
Aluminum foams are among the materials that have many applications in the construction of various building elements, including sandwich panels. This category of materials has unique features due to low density, the presence of small holes, sound insu
Externí odkaz:
https://doaj.org/article/a698bf1b355b4b858d40e3f684c76db2
Publikováno v:
Nano Materials Science, Vol 6, Iss 3, Pp 320-328 (2024)
Recently, a Schwarz crystal structure with curved grain boundaries (GBs) constrained by twin-boundary (TB) networks was discovered in nanocrystalline Cu through experiments and atomistic simulations. Nanocrystalline Cu with nanosized Schwarz crystals
Externí odkaz:
https://doaj.org/article/c6421cb9dd3e46df8aede35c15d381de
Autor:
Mehran Bahramyan, Reza T. Mousavian, Gopinath Perumal, Gavin Roche Griffin, Yanuar Rohmat Aji Pradana, James G. Carton, David J. Browne, Dermot Brabazon
Publikováno v:
Materials & Design, Vol 246, Iss , Pp 113316- (2024)
The equiatomic face-centred cubic (FCC) CoNiCrFeMn alloy, known as the Cantor alloy, is renowned for its high ductility under extreme conditions, such as cryogenic temperatures. Despite this, it suffers from low hardness and yield strength (YS) and i
Externí odkaz:
https://doaj.org/article/d836b1d5e57047a2aa6b32b6cbcf8b34
Publikováno v:
Defence Technology, Vol 31, Iss , Pp 117-129 (2024)
Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics. In this work, a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studi
Externí odkaz:
https://doaj.org/article/3d446eb997ec4a259a0ad8ff200a2006
Publikováno v:
Cailiao gongcheng, Vol 52, Iss 1, Pp 27-44 (2024)
Due to excellent comprehensive properties such as high strength, high hardness, and excellent high-temperature oxidation resistance, the refractory high-entropy alloys have broad application prospects and research value in the fields of aerospace and
Externí odkaz:
https://doaj.org/article/9f0c3fd24e9144a2bc8c68103bfbde2a
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 15, Pp 602-613 (2023)
This work is devoted to the problem of thermal stability of mono- and binary metal nanocages consisting of gold and silver atoms. The number of atoms in the studied nanocages was 1744, 2150, 2470 and 3370 atoms. The characteristic size (outer diamete
Externí odkaz:
https://doaj.org/article/a6e7cfdcba79401fa610565e17af2e94
Autor:
Zoltán Ható, Tamás Kristóf
Publikováno v:
Molecules, Vol 29, Iss 19, p 4731 (2024)
A systematic simulation study was performed to investigate the interlayer interactions in a 1:1 layered phyllosilicate clay, kaolinite. Atomistic simulations with classical realistic force fields (INTERFACE and ClayFF) were used to examine the influe
Externí odkaz:
https://doaj.org/article/44c1642cda744a3da41599743146c232
Autor:
Mallikage Shalani Shanika, Poobalasingam Abiman, Poobalasuntharam Iyngaran, Navaratnarajah Kuganathan
Publikováno v:
Crystals, Vol 14, Iss 8, p 718 (2024)
Tetrasodium silicate (Na4SiO4) has emerged as a promising candidate for battery applications due to its favorable ionic transport properties. Atomic-scale simulations employing classical pair potentials have elucidated the defect mechanisms and ion m
Externí odkaz:
https://doaj.org/article/48510b343a124dc9bcb699f5f2037156
Publikováno v:
Molecules, Vol 29, Iss 13, p 3211 (2024)
The dynamic characterization of guest molecules in the metal–organic frameworks (MOFs) can always provide the insightful and inspiring information to facilitate the synthetic design of MOF materials from the bottom-up design of perspective. Herein,
Externí odkaz:
https://doaj.org/article/6fe3599106574dde8fc792326631b8af
Publikováno v:
Metals, Vol 14, Iss 6, p 614 (2024)
The common neighbor analysis (CNA) for binary systems is a powerful method used to identify chemical ordering in intermetallics by unique indices. The capability of binary CNA, however, is largely restricted by the availability of indices for various
Externí odkaz:
https://doaj.org/article/02d281b40a984d9782862fab209b9fd0