Related papers: Surface parameters of ferritic iron-rich Fe-Cr all…
The addition of alloying elements plays an essential role in helium (He) behaviours produced by transmutation in metal alloys. Effects of solutes (Ni, Cr, Ti, P, Si, C) on the behaviours of He and He-He pair in face-centred cube (fcc) iron…
We numerically investigated the connection between isobaric fragility and the properties of high-order stationary points of the potential energy surface in different supercooled Lennard-Jones mixtures. The increase of effective activation…
The boosting effect of Cr on the growth of the protective alumina scale on Fe-Al alloys is investigated by x-ray photoelectron spectroscopy. Using low oxygen pressure the surface chemistry of the alloys is monitored starting from the first…
Surface energy is a fundamental property of materials and is particularly important in describing nanomaterials where atoms or molecules at the surface constitute a large fraction of the material. Traditionally, surface energy is considered…
We derive the energy of the surface between the normal and superfluid components of a mixed phase of a system composed of two particle species with different densities. The surface energy is obtained by the integration of the free energy…
The effect of grain size on the flow stress of FCC polycrystals is analyzed by means of a multiscale strategy based on computational homogenization of the polycrystal aggregate. The mechanical behavior of each crystal is given by a…
Changes of the magnetic and crystal structure on the microscopic scale in 40 nm FeRh thin films have been applied to investigate the phenomena of a disorder induced ferromagnetism at room temperature initiated through light ion-irradiation…
Debye temperature, $\Theta_D$, of Fe-rich Fe$_{100-x}$Cr$_x$ disordered alloys with $0\le x \le 22.3$ was determined from the temperature dependence of the central shift of M\"ossbauer spectra recorded in the temperature range of 60 -- 300…
Surface effects in strange-quark matter play an important role for certain observables which have been proposed in order to identify strange stars, and color superconductivity can strongly modify these effects. We study the surface of color…
Heusler alloy Fe2CrAl exhibits a ferromagnetic behaviour below Curie temperature (TC) ~ 202 K along with presence of cluster glass (CG) phase near freezing temperature (Tf) ~ 3.9 K and Griffiths phase (GP) above 300 K. The physical…
The energy differences between the face-centered cubic (FCC) and hexagonal closed packed (HCP) structures of the argon (Ar) crystal are studied using the first-principles electronic-structure approach at the level of random phase…
The weakness of electron-electron correlations in the itinerant antiferromagnet Cr doped with V has long been considered the reason that neither new collective electronic states or even non Fermi liquid behaviour are observed when…
In the framework of the suggested in [arxiv:1803.08247 [cond-mat.mtrl-sci]] statistical theory of the equilibrium flow stress, including yield strength, ${\sigma}_y$, of polycrystalline materials under quasi-static (in case of tensile…
We here study electronic structure and magnetic properties of bcc Co$_{x}$Fe$_{1-x}$, Cr$_{x}$Fe$_{1-x}$ and Mn$_{x}$Fe$_{1-x}$ in their ferromagnetic phases using Augmented Space Recursion technique coupled with tight-binding linearized…
Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site decreases from 11 to 6, in qualitative agreement with…
Ab initio local-density-functional-theory calculations of formation energies, surface stress, and multilayer relaxations are reported for the (111), (100), and (110) surfaces of Rh. The study is performed using ultrasoft pseudopotentials…
The growth of ultra-thin layers of Fe on the vicinal Pt(997) surface is studied by thermal energy He atom scattering (TEAS) and Auger electron spectroscopy (AES) in the temperature range between 175K and 800K. We find three distinct regimes…
When suppressing the itinerant antiferromagnetism in chromium by doping with the isostructual itinerant ferromagnet iron, a dome of spin-glass behavior emerges around a putative quantum critical point at an iron concentration $x \approx…
Highly accurate methods such as coupled cluster (CC) techniques can be used for periodic systems within the framework of the method of increments. Its extension to low-dimensional conducting system is considered. To demonstrate the…
In general, with the addition of solutes, the yield strength of alloys is expected to increase and this phenomenon is known as solid solution strengthening. However, reports on the ``anomalous'' softening with alloying additions are not…