Representation of orientation relationships in Rodrigues–Frank space for any two classes of lattice

2007 ◽  
Vol 40 (3) ◽  
pp. 559-569 ◽  
Author(s):  
Youliang He ◽  
John J. Jonas

The fundamental zones of Rodrigues–Frank (R-F) space applicable to misorientations between crystals of any two Laue groups are constructed by using a unified formulation in terms of quaternion algebra. Some of these regions are fully bounded by planes that are determined solely by the symmetries of the groups, while others have at least one unbounded direction. Each of the bounded fundamental zones falls into one of nine geometrically distinct configurations. The maximum symmetry-reduced angles and the corresponding Rodrigues–Frank vectors for these fundamental zones are evaluated. The use of Rodrigues–Frank space for the representation of orientation relationships between crystals of any two symmetry groups is also addressed. Examples concerning the transition of phases of the same symmetry group,i.e.from face-centered cubic to body-centered cubic, and of different groups,i.e.from body-centered cubic to hexagonal close-packed, are given to illustrate the usefulness of this space for representing orientation relationships during phase transformation or precipitation.

Author(s):  
V. S. Kraposhin ◽  
N. D. Simich-Lafitskiy ◽  
A. L. Talis ◽  
A. A. Everstov ◽  
M. Yu. Semenov

A mechanism is proposed for the nucleus formation at the mutual transformation of austenite and cementite crystals. The mechanism is founded on the interpretation of the considered structures as crystallographic tiling onto non-intersecting rods of triangulated polyhedra. A 15-vertex fragment of this linear substructure of austenite (cementite) can be transformed by diagonal flipping in a rhombus consisting of two adjacent triangular faces into a 15-vertex fragment of cementite (austenite). In the case of the mutual austenite–cementite transformation, the mutual orientation of the initial and final fragments coincides with the Thomson–Howell orientation relationships which are experimentally observed [Thompson & Howell (1988). Scr. Metall. 22, 229–233] in steels. The observed orientation relationship between f.c.c. austenite and cementite is determined by a crystallographic group–subgroup relationship between transformation participants and noncrystallographic symmetry which determines the transformation of triangulated clusters of transformation participants. Sequential fulfillment of diagonal flipping in the 15-vertex fragments of linear substructure (these fragments are equivalent by translation) ensures the austenite–cementite transformation in the whole infinite crystal. The energy barrier for diagonal flipping in the rhombus with iron atoms in its vertices has been calculated using the Morse interatomic potential and is found to be equal to 162 kJ mol−1 at the face-centered cubic–body-centered cubic transformation temperature in iron.


2021 ◽  
Vol 2072 (1) ◽  
pp. 012008
Author(s):  
W Luthfi ◽  
Suwoto ◽  
T Setiadipura ◽  
Zuhair

Abstract Several studies related to simplifying the modeling of pebble bed High-Temperature Reactor core (HTR) has been developed before. From some calculation on several MCNP models with a fueled pebble to dummy ratio 57:43, using a combination of several types of TRISO (TRi-structural ISOtropic particle fuel) unit and Pebble unit is modeled to achieve its first criticality. In this paper, some MCNP model that uses 27000 pebbles with a 57:43 ratio and 100% fueled pebble is created to be used on burnup calculation and to compare its k-eff and nuclide inventory. From this burnup calculation, it could be seen that SC (Simple Cubic) TRISO unit has faster calculation time followed by the HCP (Hexagonal Close Packed) TRISO unit and then the FCC (Face-Centered Cubic) TRISO unit. The BCC (Body-Centered Cubic) pebble unit had some consistent deviation from another pebble unit, and it still needs more study to know more about the reason behind it. It could be seen that if there are some dummy pebbles inside the reactor, then the deviation would be higher than if there is just fueled pebble inside the reactor. On the 57:43 ratio, the absolute average deviation of k-eff on burnup calculation is lower than 2% and 10% for nuclide inventory (mass). On 100% fueled pebble, it’s below 0.15% on k-eff absolute deviation and below 8% on nuclide inventory deviation.


2009 ◽  
Vol 24 (11) ◽  
pp. 3454-3461 ◽  
Author(s):  
Uma M.R. Seelam ◽  
Gagik Barkhordarian ◽  
Challapalli Suryanarayana

Allotropic hexagonal-close-packed (hcp) → face-centered-cubic (fcc) transformations were reported in Group IVB elements titanium (Ti), zirconium (Zr), and hafnium (Hf) subjected to mechanical milling in a high-energy SPEX shaker mill. Although the transformation was observed in powders milled under regular conditions, no such phase transformation was observed when the powders were milled in an ultrahigh purity environment by placing the powder in a milling container under a high-purity argon atmosphere, which was in turn placed in an argon-filled glove box for milling. From a critical analysis of the results, it was concluded that the hcp → fcc phase transformation was, at least partially, due to pick-up of interstitial impurities by the powder during milling of these powders to the nanocrystalline state.


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