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Melting conditions and entropies of superionic water ice: Free-energy calculations based on hybrid solid/liquid reference systems.
Publication Type: Academic Journal
Source(s): Journal of Chemical Physics. 2/14/2023, Vol. 158 Issue 6, p1-10. 10p.
Abstract: Superionic (SI) water ices—high-temperature, high-pressure phases of water in which oxygen ions occupy a regular crystal lattice whereas the protons flow in a liquid-like manner—have attracted a growing amount of attention over the past few years, in p...
The evolution of deformation twinning microstructures in random face-centered cubic solid solutions.
Publication Type: Academic Journal
Source(s): Journal of Applied Physics. 2/7/2023, Vol. 133 Issue 5, p1-13. 13p.
Abstract: The varied atomic arrangements in face-centered cubic (FCC) solid solutions introduce atomic-scale fluctuations to their energy landscapes that influence the operation of dislocation-mediated deformation mechanisms. These effects are particularly prono...
Atomic-scale insight into interaction mechanism between screw dislocation and HCP phase in high-entropy alloy.
Publication Type: Academic Journal
Source(s): Journal of Applied Physics. 1/21/2023, Vol. 133 Issue 3, p1-9. 9p.
Abstract: The face-centered cubic (FCC)/hexagonal close-packed (HCP) dual-phase structure is a new design strategy proposed in recent years to achieve high strength and excellent plasticity of high-entropy alloys (HEAs). Here, the effect of HCP phase thickness, ...
THE MELTING AND THE DEBYE TEMPERATURE OF FOR BCC AND FCC METALS UNDER PRESSURE: A CALCULATION FROM THE STATISTICAL MOMENT METHOD.
Publication Type: Academic Journal
Source(s): Archives of Metallurgy & Materials. 2022, Vol. 67 Issue 4, p1227-1234. 8p.
Abstract: We build the melting theory and the theory of the Debye temperature for defective and perfect cubic metals mainly based on the statistical moment method. Our theoretical results are applied to metals Ni, Pd and Pt. Our calculations of melting temperatu...
Tethered hard spheres: A bridge between the fluid and solid phases.
Publication Type: Academic Journal
Source(s): Journal of Chemical Physics. 9/21/2022, Vol. 157 Issue 11, p1-10. 10p.
Abstract: The thermodynamics of hard spheres tethered to a Face-Centered Cubic (FCC) lattice is investigated using event-driven molecular-dynamics. The particle–particle and the particle–tether collision rates are related to the phase space geometry and are used...
Integrating machine learning with mechanistic models for predicting the yield strength of high entropy alloys.
Publication Type: Academic Journal
Source(s): Journal of Applied Physics. 9/14/2022, Vol. 132 Issue 10, p1-14. 14p.
Abstract: Accelerating the design of materials with targeted properties is one of the key materials informatics tasks. The most common approach takes a data-driven motivation, where the underlying knowledge is incorporated in the form of domain-inspired input fe...
INFLUENCE OF HIGH-TEMPERATURE OXIDIZING CONDITIONS ON ALCOCRCUNI HIGH ENTROPY ALLOYS WITH AND WITHOUT SILICON ADDITION.
Publication Type: Academic Journal
Source(s): Archives of Metallurgy & Materials. 2022, Vol. 67 Issue 2, p471-478. 8p.
Abstract: Initial investigations on oxidation behaviour and phase transformations of equimolar AlCoCrCuNi high entropy alloy with and without 1 at.% silicon addition during 24-hr exposure to air atmosphere at 1273 K was carried out in this work. After determinin...
TRIBOLOGICAL STUDIES ON ALCRFECUCONI HIGH ENTROPY ALLOY SURFACE COATED ON TI-6AL-4V USING PLASMA TRANSFERRED ARC TECHNIQUE.
Publication Type: Academic Journal
Source(s): Archives of Metallurgy & Materials. 2022, Vol. 67 Issue 2, p409-420. 12p.
Abstract: AlCrFeCuCoNi high entropy particles were alloyed on Ti-6Al-4V surface using Plasma transferred arc (PTA) process. PTA alloyed surfaces were investigated for their phase formation, microhardness improvement and wear behaviour. The various wear mechanism...
The Electronic Behavior and Mechanical Characteristics of CuGa5S8.
Publication Type: Academic Journal
Source(s): Suleyman Demirel University Journal of Science. 2022, Vol. 17 Issue 1, p72-81. 10p.
Abstract: Bu teoriksel çalışmada, 𝐹4̅ 3𝑚 uzay grubu ve 216 uzay numarası ile yüzey merkezli kübik yapıya sahip olan CuGa5S8 bileşiğinin elektronik davranışı ve mekaniksel özellikleri sunulmaktadır. Yoğunluk fonksiyonel teorisine dayanan (YFT) tüm hesaplamalar, G...
Chemical interactions that govern the structures of metals.
Publication Type: Academic Journal
Source(s): Proceedings of the National Academy of Sciences of the United States of America. 2/21/2023, Vol. 120 Issue 8, p1-29. 36p.
Abstract: Most metals adopt simple structures such as body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP) structures in specific groupings across the periodic table, and many undergo transitions to surprisingly complex structur...