“…9 For samples with mean grain diameter of approximately 60 nm and with 90% of the grains smaller than 100 nm, the martensite start (M s ) and martensite finish (M f ) transformation temperatures decrease from 330 K to 319 K and from 302 K to less than 197 K respectively, when compared to a coarse grained polycrystalline sample. TEM studies show that grains with diameters less than 50 nm fail to transform to martensite even after quenching to 197 K. Experimental studies by Glezer and collaborators 10 on Ni 50 Ti 25 Cu 25 nano-particles embedded in an amorphous matrix show similar trends for the B2 -B19 martensite phase transformation. The authors find either partially or fully suppressed transformation at sizes less than 25 nm and indicate that for spheres of diameter less than 16 nm, the martensite transformation is completely suppressed.…”
We use density functional theory to characterize how size affects the relative stability of thin NiTi slabs of different crystal structures and its implication on the martensitic phase transition that governs shape memory. We calculate the surface energies of B2' phase (austenite), B19 (orthorhombic), B19' (martensite) and a body centered orthorhombic phase (BCO), the theoretically-predicted ground state. We find that (110) B2 surfaces with in-plane atomic displacements stabilize the austenite phase with respect to B19' and BCO, thus slabs with such orientations are predicted to exhibit a decrease in martensite transition temperature with decreasing thickness. Our calculations predict a critical thickness of 2 nm, below which the transition would not occur. The opposite trend is observed in slabs with atomic displacements along the surface normal: the phase transformation temperature increases with decreasing size.
“…9 For samples with mean grain diameter of approximately 60 nm and with 90% of the grains smaller than 100 nm, the martensite start (M s ) and martensite finish (M f ) transformation temperatures decrease from 330 K to 319 K and from 302 K to less than 197 K respectively, when compared to a coarse grained polycrystalline sample. TEM studies show that grains with diameters less than 50 nm fail to transform to martensite even after quenching to 197 K. Experimental studies by Glezer and collaborators 10 on Ni 50 Ti 25 Cu 25 nano-particles embedded in an amorphous matrix show similar trends for the B2 -B19 martensite phase transformation. The authors find either partially or fully suppressed transformation at sizes less than 25 nm and indicate that for spheres of diameter less than 16 nm, the martensite transformation is completely suppressed.…”
We use density functional theory to characterize how size affects the relative stability of thin NiTi slabs of different crystal structures and its implication on the martensitic phase transition that governs shape memory. We calculate the surface energies of B2' phase (austenite), B19 (orthorhombic), B19' (martensite) and a body centered orthorhombic phase (BCO), the theoretically-predicted ground state. We find that (110) B2 surfaces with in-plane atomic displacements stabilize the austenite phase with respect to B19' and BCO, thus slabs with such orientations are predicted to exhibit a decrease in martensite transition temperature with decreasing thickness. Our calculations predict a critical thickness of 2 nm, below which the transition would not occur. The opposite trend is observed in slabs with atomic displacements along the surface normal: the phase transformation temperature increases with decreasing size.
“…It caused by different character of proceeding of accommodation processes during MT in rounded particles of investigated amorphous Fe-Ni, Fe-Ni-B and Ni-Ti-Cu alloys obtaining by quenching from the liquid state. Martensitic transformation does not take place in particles less than 100 nm in Fe-Ni and less than 15 nm in Ni-Ti-Cu alloys [69].…”
Section: Martensitic Transformation In Nanocrystals and Nanomaterialsmentioning
confidence: 88%
“…During studying of MT in ultra-small powders of some Fe-based alloys, it was ascertained that, at sizes 10-200 nm, the stabilization of parent -phase took place and martensitic crystals did not appear [67][68][69][70]. Critical size of nanocrystals for beginning of MT depends on material and type of the MT-thermoelastic or going on with large hysteresis.…”
Section: Martensitic Transformation In Nanocrystals and Nanomaterialsmentioning
The existing models and schemes of the martensitic phase nucleation are considered in the review. Theoretical and experimental works devoted to the nucleation of the martensitic crystals in different metals are discussed and analysed. The parameters and processes of the martensitic transformation in such subjects of small dimensions as particles, porous materials, thin films, nanoparticles, and nanomaterials are also considered and discussed.В огляді розглядаються наявні моделі та схеми зародження мартенсит-них фаз, обговорюються теоретичні й експериментальні роботи, прис-вячені зародженню кристалів мартенситу в різних металах. Розгляда-ються й обговорюються параметри та процеси мартенситного перетво-рення у таких об'єктах малих розмірів як частинки, порошкові матері-яли, тонкі плівки, наночастинки та наноматеріяли.В обзоре рассматриваются существующие модели и схемы зарождения мартенситных фаз, обсуждаются теоретические и экспериментальные работы, посвящённые зарождению кристаллов мартенсита в различных металлах. Рассматриваются и обсуждаются параметры и процессы мар-тенситного превращения в таких объектах малых размеров как частицы, порошковые материалы, тонкие плёнки, наночастицы и наноматериалы.
Abstract:Since the nucleation and growth of clusters is usually a non-equilibrium condensation process, a distribution of structural isomers for a given cluster size may be encountered even under the same conditions. In this work, molecular dynamics simulations are performed on sets of molten clusters of Cu 309 to study their structures at low temperatures while controlling the cooling rate. Several different final structures including perfect icosahedra (ICO), imperfect Mark' decahedra (MDEC) and imperfect FCC truncated octahedra (TOCT) are obtained even at the same cooling rate. It is calculated that the most favorable structure is icosahedra, which becomes more and more favorable as the cooling rate is slowed. To better understand the process of crystallization, several techniques, including potential-temperature curves, common neighbor analysis (CNA) and radial distribution function (RDF), are used to analyze and study the structural transition. Results show that different structures are obtained under identical conditions due to the stochastic nature of nucleation and relatively small energy difference between isomers. The process of geometrical evolution for icosahedra is given by comparing and analyzing the time evolution of the root-mean-square deviation (RMSD) of atoms located in every shell.
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