Reaction Path Optimization without NEB Springs or Interpolation Algorithms

2013 ◽  
Vol 9 (3) ◽  
pp. 1305-1310 ◽  
Author(s):  
P. Plessow
Keyword(s):  
Reaction Path ◽  
Path Optimization ◽  
Interpolation Algorithms

An improved reaction path optimization method using a chain of conformations

2018 ◽  
Vol 699 ◽  
pp. 255-260
Author(s):  
Toshio Asada ◽  
Nozomi Sawada ◽  
Takuya Nishikawa ◽  
Shiro Koseki
Keyword(s):  
Reaction Path ◽  
Optimization Method ◽  
Path Optimization ◽  
A Chain

Use of 2½ D imaging in analysis of NiTi martensite

1978 ◽  
Vol 36 (1) ◽  
pp. 610-611
Author(s):  
G. M. Michal
Keyword(s):  
Memory Effect ◽  
Monoclinic Phase ◽  
Reaction Path ◽  
Structural Characteristics ◽  
Salient Feature ◽  
Martensite Phase ◽  
Orientation Relationships ◽  
Low Symmetry ◽  
Hydride Phases ◽  
Unusual Shape

Several TEM investigations have attempted to correlate the structural characteristics to the unusual shape memory effect in NiTi, the consensus being the essence of the memory effect is ostensible manifest in the structure of NiTi transforming martensitic- ally from a B2 ordered lattice to a low temperature monoclinic phase. Commensurate with the low symmetry of the martensite phase, many variants may form from the B2 lattice explaining the very complex transformed microstructure. The microstructure may also be complicated by the enhanced formation of oxide or hydride phases and precipitation of intermetallic compounds by electron beam exposure. Variants are typically found in selfaccommodation groups with members of a group internally twinned and the twins themselves are often observed to be internally twinned. Often the most salient feature of a group of variants is their close clustering around a given orientation. Analysis of such orientation relationships may be a key to determining the nature of the reaction path that gives the transformation its apparently perfect reversibility.

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