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Graphene hydrophobic coatings paved the way towards a new generation of optoelectronic and fluidic devices. Nevertheless, such hydrophobic thin films rely only on graphene non-polar surface, rather than taking advantage of its surface…
Atomic force microscopy (AFM) is a key tool for characterising nanoscale structures, with functionalised tips now offering detailed images of the atomic structure. In parallel, AFM simulations using the particle probe model provide a…
The study of polycrystalline materials requires theoretical and computational techniques enabling multiscale investigations. The amplitude expansion of the phase field crystal model (APFC) allows for describing crystal lattice properties on…
The relation between the contact angle of a liquid drop and the morphological parameters of self-affine solid surfaces have been investigated. We show experimentally that the wetting property of a solid surface crucially depends on the…
Adversarial attacks pose a severe threat to the reliability of deep learning models in remote sensing (RS) image classification. Most existing methods rely on direct pixel-wise perturbations, failing to exploit the inherent atmospheric…
The adhesive contact between elastic solids with randomly rough, self affine fractal surfaces is studied by molecular dynamics (MD) simulations. The interfacial binding energy obtained from the simulations of nominally flat and curved…
This paper presents the analysis and characterization of the surface scattering process for both specular and diffused components. The study is focused on the investigation of various building materials each having a different roughness, at…
Certified defenses against adversarial attacks offer formal guarantees on the robustness of a model, making them more reliable than empirical methods such as adversarial training, whose effectiveness is often later reduced by unseen…
Crystalline materials exhibit long-range elastic fields due to the presence of defects, leading to significant domain size effects in atomistic simulations. A rigorous far-field expansion of these long-range fields identifies low-rank…
Understanding of clouds is instrumental in interpreting current and future spectroscopic observations of exoplanets. Modelling clouds consistently is complex, since it involves many facets of chemistry, nucleation theory, condensation…
Super cooled liquids display increasingly heterogeneous dynamics as temperature is lowered towards the glass transition ($T_{g}$). A hallmark of this dynamical heterogeneity is the spontaneous emergence of cooperative rearranging regions…
The deployment of multimodal models in high-stakes domains, such as self-driving vehicles and medical diagnostics, demands not only strong predictive performance but also reliable mechanisms for detecting failures. In this work, we address…
In a recent class of phase field crystal (PFC) models, the density order parameter is coupled to powers of its mean field. This effectively introduces a phenomenology of higher-order direct correlation functions acting on long wavelengths,…
Barrium fluoride (BaF2) thin films were prepared by electron beam evaporation technique at room temperature, on glass, Silicon and Aluminum substrates having thickness of 20 nm each. Its structural property and surface morphology were…
Surface phenomena are increasingly becoming important in exploring nanoscale materials growth and characterization. Consequently, the need for atomistic based simulations is increasing. Nevertheless, relying entirely on quantum mechanical…
This thesis was focused on the surface modification with plasma discharge. Austenitic AISI 316L stainless steel sample was carburised under different experimental conditions and mechanical properties have been studied (thickness, lattice…
Simulating dynamic rupture propagation is challenging due to the uncertainties involved in the underlying physics of fault slip, stress conditions, and frictional properties of the fault. A trial and error approach is often used to…
Cold joints in extruded concrete structures form once the exposed surface of a deposited filament dries prematurely and gets sequentially covered by a layer of fresh concrete. This creates a material heterogeneity which lowers the…
We assess the capability of recently developed foundational atomistic models (FAMs) to simulate iron alloys under the extreme pressures and temperatures of Earth's core. Static equations of state of hexagonal close-packed (hcp) and…
Fracture propagation is highly sensitive to the conditions at the crack tip. In heterogeneous materials, microscale obstacles can cause propagation instabilities. Macroscopic heterogeneities modify the stress field over scales larger than…