Related papers: Morphological, nanostructural, and compositional e…
We aim to investigate relationships between select processing parameters or inputs (composition, temperature, annealing time) and two structural parameters, specifically, the mean radius and volume fraction of the Fe$_3$Si nanocrystals. To…
Understanding the composition evolution of grain boundaries and grain boundary precipitation at near-atomic scale in aluminum alloys is crucial to tailor mechanical properties and to increase resistance to corrosion and stress corrosion…
This paper compares two approaches for investigating the near-surface composition profile that results from surface segregation in the so-called Cantor alloy, an equi-molar alloy of CoCrFeMnNi. One approach consists of atomistic computer…
Nanoscale precipitates in the microstructure of nickel-based superalloys hinder dislocation motion, which results in an extraordinary strengthening effect at elevated temperatures. We used molecular dynamics (MD) with classical effective…
We report evidence of Re and Mo segregation (up to 2.6 at.% and 1 at.%) along with Cr and Co to the dislocations inside of {\gamma}' precipitates in a second generation Ni-based single crystal superalloy, after creep deformation at…
The complexity and richness of phenomena governing alloy crystal growth can be unraveled by examining the three-dimensional atomic-level distribution of elements and impurities incorporated during growth. These species act as atomic…
Segregation, precipitation, and phase separation in Fe-Cr systems is investigated. Monte Carlo simulations using semiempirical interatomic potential, first-principles total energy calculations, and experimental spectroscopy are used. In…
Sharp nanoscale tips on metal surfaces of electrodes enhance locally applied electric fields. Strongly enhanced electric fields trigger electron field emission and atom evaporation from the apexes of the nanotips. Combined together, these…
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied in Metropolis Monte Carlo simulations, within the framework…
In this study, the structure and composition of the native oxide forming on the basal plane (0001) of Mg-2Al-0.1Ca is investigated by a correlative approach, combining scanning transmission electron microscopy (STEM) and atom probe…
The kinetics of coherent Cu rich precipitation in Fe-Cu and Fe-Cu-Ni alloys during thermal ageing have been modeled by Atomic Kinetic Monte Carlo method (AKMC). The AKMC is parameterized by existing ab-inito data to treat vacancy mediated…
This work reports the formation of nano- crystalline Al50Cu28Fe22 by high-energy milling. For obtaining the nano-crystalline material, the Al50Cu28Fe22 alloy synthesized through slow cooling of the molten alloy was subjected to ball…
This study explores Ti-containing complex concentrated alloys (CCAs) within the AlMoNbTiZr system, focusing on compositions located in regions of the Bo-Md diagram characterized by low bond order (Bo) and d-orbital energy level (Md). Four…
The simulations of the solidification of ternary Al-Cu-Ni alloys by means of a general multi-phase-field model for an arbitrary number of phases reveal that the real microstructure can be generated by coupling the real thermodynamic…
We investigate the chemical evolution of odd-numbered elements such as sodium (Na) and aluminum (Al) during the early epochs of the Galactic halo with the use of a model that reproduces the observed box-shaped distribution of extremely…
We have compared molecular line emission to dust continuum emission and modeled molecular lines using Monte Carlo simulations in order to study the depletion of molecules and the ionization fraction in three preprotostellar cores, L1512,…
Precipitation patterns emerging in a 2D moving front are investigated on the example of NaOH diffusing into a gel containing AlCl_3. The time evolution of the precipitate Al(OH)_3 can be observed since the precipitate redissolves in the…
The electrical resistivity and the anisotropic magnetoresistance (AMR) was investigated for Ni Co alloys at and below room temperature. The Ni Co alloy layers having a thickness of about 2 um were prepared by electrodeposition on Si wafers…
The time evolution of protons and $^3$He fragments from Au+Au/Pb+Pb reactions at 0.25, 2, and 20 GeV$/$nucleon is investigated with the potential version of the Ultrarelativistic Quantum Molecular Dynamics (UrQMD) model combined with the…
We report on the formation of lobe-lobe (bi-lobed) Au-Ge nanostructures under ultra high vacuum (UHV) conditions (\approx 3\times 10^{-10} mbar) on clean Si(100) surfaces. For this study, \approx 2.0 nm thick Au samples were grown on the…