[HTML][HTML] Learning grain boundary segregation energy spectra in polycrystals
The segregation of solute atoms at grain boundaries (GBs) can profoundly impact the
structural properties of metallic alloys, and induce effects that range from strengthening to …
structural properties of metallic alloys, and induce effects that range from strengthening to …
Defect accumulation and evolution in refractory multi-principal element alloys
Refractory multiple principal elemental alloys (MPEAs) hold great promise for structural
materials in future nuclear energy systems. Compared to the extensively studied face …
materials in future nuclear energy systems. Compared to the extensively studied face …
Classical and machine learning interatomic potentials for BCC vanadium
BCC transition metals (TMs) exhibit complex temperature and strain-rate dependent plastic
deformation behavior controlled by individual crystal lattice defects. Classical empirical and …
deformation behavior controlled by individual crystal lattice defects. Classical empirical and …
Dissecting functional degradation in NiTi shape memory alloys containing amorphous regions via atomistic simulations
Molecular dynamics simulations are performed to provide a detailed understanding of the
functional degradation of nano-scaled NiTi shape memory alloys containing amorphous …
functional degradation of nano-scaled NiTi shape memory alloys containing amorphous …
Atomistic simulations on orientation dependent martensitic transformation during nanoindentation of NiTi shape-memory alloys
Unusual orientation-dependent mechanical responses during nanoindentations of nickel-
titanium shape-memory alloys are studied by performing a series of large-scale molecular …
titanium shape-memory alloys are studied by performing a series of large-scale molecular …
Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework
We present a systematic methodology, built within the Open Knowledgebase of Interatomic
Models (OpenKIM) framework (https://openkim. org), for quantifying properties of grain …
Models (OpenKIM) framework (https://openkim. org), for quantifying properties of grain …
[HTML][HTML] Transformations of the Microstructure and Phase Compositions of Titanium Alloys during Ultrasonic Impact Treatment Part II: Ti-6Al-4V Titanium Alloy
Experimental and theoretical studies enabled the reveal of patterns of the microstructure
formation in the surface layer of Ti-6Al-4V titanium alloy subjected to ultrasonic impact …
formation in the surface layer of Ti-6Al-4V titanium alloy subjected to ultrasonic impact …
Effects of precipitate on the phase transformation of single-crystal NiTi alloy under thermal and mechanical loads: A molecular dynamics study
S Ataollahi, MJ Mahtabi - Materials Today Communications, 2021 - Elsevier
Molecular dynamics simulations have been carried out in this study to investigate the stress-
induced and temperature-induced phase transformations in NiTi shape memory alloy in the …
induced and temperature-induced phase transformations in NiTi shape memory alloy in the …
Multiscale fracture of Ti-Al-N coatings under uniaxial tension
AR Shugurov, AV Panin, AI Dmitriev… - Physical …, 2021 - Springer
The fracture behavior of Ti 0.45 Al 0.55 N coatings under uniaxial tension was investigated
at different scale levels. The coatings were deposited on 12Cr18Ni9Ti steel substrates by …
at different scale levels. The coatings were deposited on 12Cr18Ni9Ti steel substrates by …
New modified embedded-atom method interatomic potential to understand deformation behavior in VNbTaTiZr refractory high entropy alloy
Abstract High Entropy Alloys (HEAs) have attracted much interest over the past 20 years
because of their remarkable mechanical properties. Recent works on BCC refractory HEAs …
because of their remarkable mechanical properties. Recent works on BCC refractory HEAs …