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Stellar evolution models which include the effect of helium and heavy element diffusion have been calculated for initial iron abundances of [Fe/H] = -2.3, -2.1, -1.9 and -1.7. These models were calculated for a large variety of masses and…
Understanding the creep mechanisms and deformation response at different stresses and temperatures is crucial for design using nickel-base superalloys for high-temperature applications. In this study, the creep behaviour of a newly designed…
We employed density functional theory-based ab initio molecular dynamics simulations to examine the hydration structure of several common alkali and alkali earth metal cations. We found that the commonly used atom pairwise dispersion…
In this paper, we study the effects of $\theta ^\prime$-Al$_2$Cu plate-like precipitates on the plasticity of Al-Cu micro-pillars, with a sample size allowing the precipitates to cross the entire micro-pillar. {100}-slip traces are…
We propose the theoretical description for the temperature and concentration phase transformations in composite lithium grease doped with the mesogenic additives of the copper(II) carboxylates family, copper(II) valerate and isovalerate, in…
Ion-irradiated FeCr alloys are useful for understanding and predicting neutron-damage in the structural steels of future nuclear reactors. Previous studies have largely focused on the structure of irradiation-induced defects, probed by…
Chromium depletion at grain boundaries (GBs) due to selective attack is a critical issue in the molten salt corrosion of NiCr alloys. Despite the importance of GBs in this process from numerous experimental studies, most theoretical work…
The effect of temperature in high purity Ar (low oxygen partial pressure) on the oxidation and crystal phase evolution of c-Al0.66Ti0.33N arc-PVD coatings was investigated. High temperature tribology in Ar jet and adhesion behavior of the…
The behavior of metals at high pressure is of great importance to the fields of shock physics, geophysics, astrophysics, and nuclear materials. In order to further understand the properties of metals at high pressures we studied the…
Hydrogen (H) content modifies the creep response of Fe-based alloys by altering thermodynamics of point-defects; here we identify the electronic-structure mechanism underlying this effect. Using spin-polarized first-principles calculations…
The Al-Ag system is thought to be a well-understood model system used to study diffusional phase transformations in alloys. Here we report the existence of a new precipitate phase, zeta, in this classical system using scanning transmission…
Carbonyl complexes of $d^6$ metals with an alpha-diimine ligand exhibit both emission and ligand-selective photodissociation from MLCT states. Studying this photodissociative mechanism is challenging for experimental approaches due to an…
Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum-mechanical theory of dislocation remains undiscovered for…
The present paper studies non-uniform plastic deformations of crystals undergoing anti-plane constrained shear. The asymptotically exact energy density of crystals containing a moderately large density of excess dislocations is found by the…
We report the observation of ferromagnetism at over 900K in Cr-GaN and Cr-AlN thin films. The saturation magnetization moments in our best films of Cr-GaN and Cr-AlN at low temperatures are 0.42 and 0.6 u_B/Cr atom, respectively, indicating…
A model for precipitation of the plate-shaped second-phase under applied stress is presented. The precipitates in the matrix-precipitate system are represented by their local volume fraction and an orientation parameter that defines the…
The high-pressure and high-temperature behaviors of sodium chloride (NaCl) have the fundamental and application significance to the high pressure physics and chemistry. To explore the reactivity of NaCl at high pressure and high…
The processing of binary alloys consisting of ferromagnetic Fe and antiferromagnetic Cr by severe plastic deformation (SPD) with different chemical compositions has been investigated. Although the phase diagram exhibits a large gap in the…
Aliovalent rare earth substitution into the alkaline earth site of CaFe2As2 single-crystals is used to fine-tune structural, magnetic and electronic properties of this iron-based superconducting system. Neutron and single crystal x-ray…
Patterning of precipitates along dislocation lines arising from nonequilibrium segregation during ion irradiation is investigated in model binary alloys. Lattice kinetic Monte Carlo simulations reveal that the competition between solute…