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Iron is a material of fundamental importance in the industrial and economic processes of our society as it is the major constituent of steels. With advances in computational science, much progress has been made in the understanding of the microscopic mecha ...
A multi-scale elastic-plastic finite element and fast Fourier transform based approach is proposed to study lattice strain evolution during uniaxial and biaxial loading of stainless steel cruciform shaped samples. At the macroscale, finite element simulati ...
For new fast-neutron sodium-cooled Generation IV nuclear reactors, the candidate cladding materials for the very strong burn-up are ferritic and martensitic oxide dispersion strengthened grades. Classically, the cladding tube is cold formed by a sequence o ...
Well-ordered molecular films play an important role in nanotechnology, from device fabrication to surface patterning. Self-assembled monolayers (SAMs) of 6-mercaptopurine (6MP) on the Au(100)-(1 x 1) and Au(111)-(1 x 1) have been used to understand the int ...
This work generalizes the one-step model previously developed on fcc-bcc martensitic transformations to the larger family of phase transitions in the fcc-bcc-hcp system. The angular distortive matrices are calculated for the bcc-fcc, bcc-hcp and fcc-hcp tr ...
The influence of concurrent precipitation on recrystallization is analyzed by comparing the nucleation and growth behavior of P ({011} 〈566〉), Cube ({001} 〈100〉), and 20 deg ND-rotated Cube ({001} 〈310〉, NDcube)-oriented grains in Al-xMn-Fe-Si (x = 0, 0.4, ...
Liquid phase crystallization has emerged as a novel approach to grow large grained polycrystalline silicon films on glass with high electronic quality. In recent years a lot of effort was conducted by different groups to determine and optimize suitable int ...
The tensile elongation of an < 011 > oriented columnar nanocrystalline pure iron structure at a temperature of 300 K has been simulated by molecular dynamics (MD). The simulated sample contains 4.3 x 10(6) atoms and has been subject to free elongation alon ...
In this paper, we present a study of the structural and optical properties of organic-inorganic halide-based perovskite semiconductors with band gaps varying from NIR to visible at room temperature. Thin films of nanocrystalline CH3NH3PbI3 with different c ...
The design and the characterization of functionalized gold nanoparticles supracrystals require atomically resolved information on both the metallic core and the external organic ligand shell. At present, there is no known approach to characterize simultane ...
