Related papers: Anisotropy in interface stress at the BCC-iron sol…
We report on the study of both perpendicular magnetic anisotropy (PMA) and Dzyaloshinskii-Moriya interaction (DMI) at an oxide/ferromagnetic metal (FM) interface, i.e. BaTiO3 (BTO)/CoFeB. Thanks to the functional properties of the BTO film…
Confinement breaks the translational symmetry of materials. Such symmetry breaking can be used to obtain configurations that are not otherwise accessible in the bulk. Here, we explore the effect of substrate-liquid interactions on the…
By introducing finite size surface and interfacial excess quantities, interactions between interfaces are shown to modify the usual surface premelting phenomenon. It is the case of surface melting of a thin solid film s deposited on a…
Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal…
Solidification, coupled with melt flow, plays a critical role in determining the microstructure and properties of materials in several manufacturing processes. Phase-field models coupled with the Navier-Stokes equations are widely used to…
This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…
We present a phase-field model for simulating the solid-state dewetting of anisotropic crystalline films on non-planar substrates. This model exploits two order parameters to trace implicitly the crystal free surface and the substrate…
A nitridation annealing process is well employed to reduce interface trap states that degrade the channel mobility of 4H-SiC/SiO${}_2$ metal-oxide-semiconductor field-effect transistor. In recent experiments, the existence of high N-atom…
To study the electrochemical reaction on surfaces, phase interfaces, and crack surfaces in the lithium ion battery electrode particles, a phase-field model is developed, which describes fracture in large strains and anisotropic…
Short and long-term stabilities of cementless implants are strongly determined by the interfacial load transfer between implants and bone tissue. Stress-shielding effects arise from shear stresses due to the difference of material…
The structure and stability of iron near melting at multi-megabar pressures are of significant interest in high pressure physics and earth and planetary sciences. While the body-centered cubic (BCC) phase is generally recognized as unstable…
Interfacial Dzyaloshinskii-Moriya interaction (iDMI) has been investigated in Co2FeAl (CFA) ultrathin films of various thicknesses (0.8 nm<tCFA<2 nm) grown on Si substrates, using Pt, W, Ir and MgO buffer or/and capping layers. Vibrating…
We present the first calculations of the pressure tensor profile in the vicinity of the planar interface between isotropic liquid and nematic liquid crystal, using Onsager's density functional theory and computer simulation. When the liquid…
The paper analyzes theoretically the influence of fullerenes on the characteristics of $\mathrm{Al/C}_{60}$ composites. The molecular dynamics method is used to study the dependences of density and stiffness constants on the concentration…
We report tight-binding (TB) and Density Function Theory (DFT) calculations of magnetocrystalline anisotropy energy (MAE) of free Fe (body centerd cubic) and Co (face centered cubic) slabs and nanocrystals. The nanocrystals are truncated…
Multilevel Monte Carlo simulations of a BSCCO system are carried out including both Josephson as well as electromagnetic couplings for a range of anisotropies. A first order melting transition of the flux lattice is seen on increasing the…
Ion-beam irradiation of an amorphizable material such as Si or Ge may lead to spontaneous pattern formation, rather than flat surfaces, for irradiation beyond some critical angle against the surface normal. It is observed experimentally…
RT\textsubscript{12} materials continue to attract attention due to their potential use as ``rare-earth-lean'' permanent magnets, but converting their promising intrinsic properties into practical high performance remains an elusive goal.…
The mechanism behind the nematicity of FeSe is not known. Through elastoresitivity measurements it has been shown to be an electronic instability. However, so far measurements have extended only to small strains, where the response is…
Solid/liquid interfaces control various processes of technological relevance in the process industry and many fundamental physicochemical phenomena. This work examines the link between the atomistic description of mass transfer at…