Publications

Showing 71 results for Author: Eva Zarkadoula

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Aug, 2026

Journal

Irradiation-Induced Structural Disorder and Its Influence on the Mechanical Response of Polycrystalline MoS2

Molybdenum disulfide (MoS2) thin films are widely used as dry-film lubricants and protective coatings in aerospace and other radiation-exposed environments. Conventional synthesis routes produce polycrystalline films whose grain boundaries and other native defects cause their mechanical and tribological behavior to differ substantially from that of ideal single crystals. U…
Jun, 2026

Journal

Controllable Formation of Threefold-Coordinated Oxygen in Graphene by Low-Energy Ion Implantation

The atomically precise engineering of impurities in graphene and the understanding of their structural and carrier-dependent electronic properties at the nanoscale are crucial for development of graphene-based nanoelectronics, catalytic, and energy technologies. Here, we report the controllable and reproducible incorporation of oxygen (O) substitutions into graphene using…
May, 2026

Journal

Dual density wave state in liquid Ga

Liquid Ga is considered to be in a mixed state of metallic and covalent local states, and shows complex behavior, similar to those of other polyvalent Group III–V elements on the Periodic Table, such as Si, Ge, Sn, and Bi. We studied liquid Ga by inelastic neutron scattering to obtain the pair-distribution function. We found that the structure of liquid Ga has the medium-r…
Apr, 2026

Journal

Real-space Atomic Dynamics in Liquid Gallium Studied by Inelastic Neutron Scattering

Gallium is a prototypical liquid metal and has gained renewed attention because of its unique properties. Characterizing and elucidating its atomic dynamics remains elusive despite numerous studies, primarily because of the challenges in quantifying atomic-scale dynamics in liquids. Recent developments in inelastic neutron scattering enable us to measure the Van Hove corre…
Apr, 2026

Journal

Consequential improvement acquisition function for efficient multi-fidelity Bayesian optimization

Surrogate-based Bayesian optimization has been widely applied in design optimization to increase sampling efficiency. However, the cost for each evaluation of the objective function can still be very high when physical experiments or large-scale simulations are involved. Multi-fidelity Bayesian optimization is the new approach to further improve the sampling efficiency by…
Apr, 2026

Journal

Complexity in the medium-range order of gallium as a polyvalent liquid metal

Simplicity in chemical composition does not always translate into simplicity in the structures and dynamics of liquids and solids. Some elementary liquid metals, such as gallium, show unusual behaviors in thermodynamic and transport properties as a result of their complex atomic structure and dynamics. In this work, we study the real-space atomic correlation function of li…
Mar, 2026

Journal

Unveiling Swift Heavy Ion Track Morphology in Sr-Based High-Entropy Perovskites

The incorporation of multiple cations on a single lattice site in the high-entropy oxides is considered the key driving factor for modifying the known atomic-level response to energetic ion irradiation due to the presence of structural disorder; however, these effects are not well-understood yet. In this work, we present atomic-level insight into irradiation-induced nanosc…
Dec, 2025

Journal

Electronic Excitation-Driven β-Ga2O3 Metastability Transformation and Self-Organization Mechanism: β→κ/γ/δ Phases

Irradiation-driven multiphase self-organization presents emergent opportunities for the customization of nanoscale engineering properties, dynamically tuning strain-field distributions and interfacial electronic structures. Responding to intense electronic excitation-induced energy deposition, the dominant phase transformations, with varying Gibbs free energy Δ G0f, are co…
Oct, 2025

Journal

Distinctive Features of Structural Evolution and Thermodynamic Response in Wide-Bandgap Semiconductors Driven by Intense Electronic Excitation

Radiation-tolerant material selection requires balancing lattice rigidity, defect dynamics, and electronic stability, as shown by covalent SiC outperforming ionic Ga2O3 and GaN under extreme environments. Responding to intense electronic excitation, irradiation-driven phase segregation (β → δ/κ in Ga2O3) and core–shell track (disordered structure in GaN), accompanied by el…
Sep, 2025

Journal

Anisotropic structure and optical engineering of strontium titanate and zirconia responding to sequential hydrogen and helium irradiation

Unraveling the correlation between strain engineering with anisotropic optical properties via nanoscale defects gradually evolved into a strategy for fundamental studies and technological applications, yet it remains understudied in functional complex oxides compared to metals and semiconductors. The methodology of strain engineering for the determination of the lattice pa…
Aug, 2025

Journal

Be₂C as a neutron moderator for molten salt reactors: A first-principles study of structural, electronic, and defect properties

Beryllium carbide (Be2C), valued for its high neutron moderation efficiency and low absorption cross section, is a promising high-temperature neutron moderator for molten salt reactors. Its practical adoption, however, demands significant technological maturation, requiring comprehensive theoretical and experimental studies of its response to different conditions, includin…
Aug, 2025

Journal

Low energy implantation into transition metal dichalcogenide monolayers to form Janus structures

Atomically-thin two-dimensional (2D) materials face significant energy barriers for synthesis and processing into functional metastable phases such as Janus structures. Here, the controllable implantation of hyperthermal species from pulsed laser deposition (PLD) plasmas is introduced as a top-down method to compositionally engineer 2D monolayers. The kinetic energies of S…

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Publications

Irradiation-Induced Structural Disorder and Its Influence on the Mechanical Response of Polycrystalline MoS2

Controllable Formation of Threefold-Coordinated Oxygen in Graphene by Low-Energy Ion Implantation

Dual density wave state in liquid Ga

Real-space Atomic Dynamics in Liquid Gallium Studied by Inelastic Neutron Scattering

Consequential improvement acquisition function for efficient multi-fidelity Bayesian optimization

Complexity in the medium-range order of gallium as a polyvalent liquid metal

Unveiling Swift Heavy Ion Track Morphology in Sr-Based High-Entropy Perovskites

Electronic Excitation-Driven β-Ga2O3 Metastability Transformation and Self-Organization Mechanism: β→κ/γ/δ Phases

Distinctive Features of Structural Evolution and Thermodynamic Response in Wide-Bandgap Semiconductors Driven by Intense Electronic Excitation

Anisotropic structure and optical engineering of strontium titanate and zirconia responding to sequential hydrogen and helium irradiation

Be₂C as a neutron moderator for molten salt reactors: A first-principles study of structural, electronic, and defect properties

Low energy implantation into transition metal dichalcogenide monolayers to form Janus structures