Related papers: Hydrogen and vacancy clustering in zirconium
Like in any other semiconductor, point defects in transition-metal dichalcogenides (TMDs) are expected to strongly impact their electronic and optical properties. However, identifying defects in these layered two-dimensional materials has…
We investigate the influence of microstructural traps in hydrogen-assisted fatigue crack growth. To this end, a new formulation combining multi-trap stress-assisted diffusion, mechanism-based strain gradient plasticity and a hydrogen- and…
Various clathrate superhydride superconductors have been found to possess hydrogen deficiency in experimental samples, while their impacts on superconductivity are often neglected. In this study, we investigate the superconductivity of…
The linear hydrodynamic stability of a model for confined quasi-two-dimensional granular gases is analyzed. The system exhibits homogeneous hydrodynamics, i.e. there are macroscopic evolution equations for homogeneous states. The stability…
The consequences of hydrogen on the formation and growth of GP zones during natural ageing in an Al-5Cu alloy is investigated experimentally down to the atomic scale and numerically using ab initio calculations. As observed through…
Invariance properties of a physical system govern its behavior: energy conservation in turbulence drives a wide distribution of energy among modes, as observed in geophysics, astrophysics and engineering. In hydrodynamic turbulence, the…
Graphene clusters consisting of 24 to 150 carbon atoms and hydrogen termination at the zigzag boundary edges have been studied, as well as clusters disordered by vacancy(s). Density Function Theory and Gaussian03 software were used to…
Palladium is an ideal system for understanding the behavior of hydrogen in metals. In Pd, H is located both in octahedral sites and in dislocation cores, which act as nanoscale H traps and form Cottrell atmospheres. Adjacent to a…
Motivated by discrepancies between recent cold atom experiments and the associated theory, we explore the effect of immobile holes on the quantum dynamics of $x$-$z$ spin helices in the one-dimensional $XX$ model. We calculate the exact…
We study the distribution of hydrogen and various hydride configurations in realistic models of a-Si:H for two different concentration generated via experimentally constrained molecular relaxation approach (ECMR) [1]. The microstructure…
Plasticity in zirconium alloys is mainly controlled by the interaction of 1/3 1210 screw dislocations with oxygen atoms in interstitial octahedral sites of the hexagonal close-packed lattice. This process is studied here using ab initio…
Motivated by the large effect of turbulent drag reduction by minute concentrations of polymers we study the effects of a weakly space-dependent viscosity on the stability of hydrodynamic flows. In a recent Letter [Phys. Rev. Lett. {\bf 87},…
Accurate predictions of the hydration free energy for anions typically have been more challenging than for cations. Hydrogen bond donation to the anion in hydrated clusters such as $\mathrm{F(H_2O)}_n{}^-$ can lead to delicate structures.…
Motivated by the long-debated question about the internal stability of the electron, the force densities acting on the charge density of the 1s electron in the H atom are investigated. The problem is mapped onto the canonical formalism for…
Materials containing hydrogen and high-Z ion species are used in a variety of high energy density physics (HED) applications, and it becomes increasingly important to investigate transport properties of these substances as they become…
Basal slip acts as a secondary deformation mode in hexagonal close-packed titanium and becomes one of the primary mechanisms in titanium alloyed with simple metals. As these solute elements also lead to a pronounced reduction of the energy…
The effect of helicity (velocity-vorticity correlations) is studied in direct numerical simulations of rotating turbulence down to Rossby numbers of 0.02. The results suggest that the presence of net helicity plays an important role in the…
Zirconium hydride is an important material for storage of hydrogen isotopes. Here we report the structural, electronic, vibrational and thermodynamic properties of ZrH2, ZrD2 and ZrT2 using density functional theory (DFT). The structural…
We study the intermittency properties of the energy and helicity cascades in two 1536^3 direct numerical simulations of helical rotating turbulence. Symmetric and anti-symmetric velocity increments are examined, as well as probability…
The statistics of the energy and helicity fluxes in isotropic turbulence are studied using high resolution direct numerical simulation. The scaling exponents of the energy flux agree with those of the transverse velocity structure functions…