NiTi shape-memory transformations: minimum-energy pathways between austenite, martensites, and kinetically-limited intermediate states

NiTi is the most used shape-memory alloy, nonetheless, a lack of understanding remains regarding the associated structures and transitions, including their barriers. Using a generalized solid-state nudge elastic band (GSSNEB) method implemented via density-functional theory, we detail the structural transformations in NiTi relevant to shape memory: those between body-centered orthorhombic (BCO) groundstate and a newly identified stable austenite ("glassy" B2-like) structure, including energy barriers (hysteresis) and intermediate structures (observed as a kinetically limited R-phase), and between martensite variants (BCO orientations). All results are in good agreement with available experiment. We contrast the austenite results to those from the often-assumed, but unstable B2. These high- and low-temperature structures and structural transformations provide much needed atomic-scale detail for transitions responsible for NiTi shape-memory effects.Comment: 4 pages, 4 figure

A complete closed-form solution to a tropical extremal problem

A multidimensional extremal problem in the idempotent algebra setting is considered which consists in minimizing a nonlinear functional defined on a finite-dimensional semimodule over an idempotent semifield. The problem integrates two other known problems by combining their objective functions into one general function and includes these problems as particular cases. A new solution approach is proposed based on the analysis of linear inequalities and spectral properties of matrices. The approach offers a comprehensive solution to the problem in a closed form that involves performing simple matrix and vector operations in terms of idempotent algebra and provides a basis for the development of efficient computational algorithms and their software implementation.Comment: Proceedings of the 6th WSEAS European Computing Conference (ECC '12), Prague, Czech Republic, September 24-26, 201