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Konstantinos Konstantinou

Publications and source records attributed to Konstantinos Konstantinou.

9 recordsLinked to original sources

Analog Simulation of Massive Relativistic Quantum Fields in 2 + 1 Dimensions

Quantum field theories provide fundamental models of complex interacting systems, from high-energy physics and cosmology to condensed matter. However, solving these models in non-perturbative and dynamical regimes is often challenging, particularly in more than one spatial dimension. Analog simulation using tunable synthetic quantum systems can both verify existing theoretical predictions and lead to new physical insights. Here, we realize analog simulation of massive relativistic quantum fields in $2+1$ dimensions (two spatial dimensions and time), using two coherently coupled spin components in a uniform two-dimensional atomic Bose--Einstein condensate. Specifically, we encode the paradigmatic sine-Gordon model in the long-wavelength modes of the field describing the relative phase, $ϕ$, of the two components. In the perturbative regime, collective field excitations exhibit a relativistic dispersion with a tunable mass gap. We also observe explicitly non-perturbative phenomena, including the existence of topological domain walls across which $ϕ$ rapidly winds by $2π$. Our work opens possibilities for studies of cosmologically relevant phenomena including preheating, dynamics of topological defects, and relativistic false-vacuum decay.

cond-mat.quant-gas

Uniaxial compression of crystalline HCP titanium: an atomistic modelling study of size effects

Understanding the deformation behaviour of titanium is important not only for technological advances associated with industrially-relevant applications, but also essential to achieve a fundamental understanding of the mechanical properties of the relevant alloys. In this computational study, molecular-dynamics simulations are employed to ascertain the impact of model size on the mechanical response of alpha-titanium under compression. The deformation behaviour of the crystalline models is investigated as a function of different system sizes (varied by four orders of magnitude, up to 32 million atoms), and strain rates (down to 10^8 s^-1). The results show that the elastic properties remain independent of both system size and strain rate, whereas marked size effects emerge during plastic deformation. Increasing the system size of the titanium model reduces stress fluctuations, results in more homogeneous structural evolution, and stabilizes dislocation activity. Decreasing the applied strain rate requires correspondingly a larger system size to achieve equilibration and to ensure a stable behaviour for the simulated structure. The modelling results demonstrate that system size and strain rate are strongly coupled, and their combined effect governs the simulated deformation behaviour of the compressed crystalline material.

cond-mat.mtrl-sci

Journal Research Data Policies in Materials Science

Open and reproducible research in materials science relies on the availability of data, code, and common metadata standards. Journal research data policies (RDPs) remain a primary mechanism by which publication norms are defined and enforced. We survey RDPs for 171 materials science journals spanning 17 publishers, using an expanded coding framework that captures both data-and-code sharing behavior as well as refereeing standards. We find clear signs of progress in comparison to earlier research on RDPs: nearly all journals provide an RDP, and most mention data availability statements. However, enforceable requirements remain uncommon, public deposition of underlying data is rarely mandatory, and FAIR publication is typically encouraged rather than required. Expectations for research software are substantially less developed than those for data, with limited attention to versioning and persistent identifiers, dependency disclosure, reproducible execution environments, or software quality practices. Aggregating the findings on policy features into an open research data score reveals pronounced heterogeneity across journals. Neither impact factor nor access model reliably predicts policy strength. Double-coding further shows that more complex policies and stricter policies can be more challenging to interpret consistently, and we highlight challenges in consistent RDP encoding across studies. Lastly, we conclude with recommended best practice directions for the future.

cs.DL

Suppression and enhancement of bosonic stimulation by atomic interactions

The tendency of identical bosons to bunch, seen in the Hanbury Brown-Twiss effect and Bose-Einstein condensation, is a hallmark of quantum statistics. This bunching can enhance the rates of fundamental processes such as atom-atom and atom-light scattering when atoms scatter into already occupied states. For non-interacting bosons, the enhancement of light scattering follows directly from the occupation of the atom's final momentum state. Here, we study scattering between off-resonant light and atoms in a quasi-homogeneous Bose gas with tunable interactions and show that even weak interactions, which do not significantly alter the momentum distribution, strongly affect atom-light scattering. Changes in local atomic correlations suppress the bosonic enhancement under weak repulsive interactions and increase the scattering rate under attractive ones. Moreover, if the interactions are rapidly tuned, light scattering reveals correlation dynamics that are orders of magnitude faster than the collisional dynamics of the momentum-space populations. Its extreme sensitivity to correlation effects makes off-resonant light scattering a powerful probe of many-body physics in ultracold atomic gases.

cond-mat.quant-gas

Electronic and thermal properties of the phase-change memory material, Ge2Sb2Te5, and results from spatially resolved transport calculations

We report new insights into the electronic, structural, and transport (heat and charge) properties of the phase-change memory material Ge2Sb2Te5. Using realistic structural models of Konstantinou et. al. [Nat. Commun. 10, 3065 (2019)], we analyze the topology, electronic states, and lattice dynamics with density functional methods, including hybrid-functional calculations and machine-learned interatomic potentials. The Kohn-Sham orbitals near the Fermi level display a strong electron-phonon coupling, and exhibit large energy fluctuations at room temperature. The conduction tail states exhibit larger phonon-induced fluctuations than the valence tail states. To resolve transport at the atomic scale, we employ space-projected electronic conductivity and site-projected thermal conductivity methods. Local analysis of heat transport highlights the role of filamentary networks dominated by Te, with Sb and Ge making progressively smaller contributions.

cond-mat.mtrl-sci

The power of visualizing distributional differences: Formal graphical $n$-sample tests

Classical tests are available for the two-sample test of correspondence of distribution functions. From these, the Kolmogorov-Smirnov test provides also the graphical interpretation of the test results, in different forms. Here, we propose modifications of the Kolmogorov-Smirnov test with higher power. The proposed tests are based on the so-called global envelope test which allows for graphical interpretation, similarly as the Kolmogorov-Smirnov test. The tests are based on rank statistics and are suitable also for the comparison of $n$ samples, with $n \geq 2$. We compare the alternatives for the two-sample case through an extensive simulation study and discuss their interpretation. Finally, we apply the tests to real data. Specifically, we compare the height distributions between boys and girls at different ages, the sepal length distributions of different flower species, and distributions of standardized residuals from a time series model for different exchange courses using the proposed methodologies.

stat.ME

Global quantile regression

Quantile regression is used to study effects of covariates on a particular quantile of the data distribution. Here we are interested in the question whether a covariate has any effect on the entire data distribution, i.e., on any of the quantiles. To this end, we treat all the quantiles simultaneously and consider global tests for the existence of the covariate effect in the presence of nuisance covariates. This global quantile regression can be used as the extension of linear regression or as the extension of distribution comparison in the sense of Kolmogorov-Smirnov test. The proposed method is based on pointwise coefficients, permutations and global envelope tests. The global envelope test serves as the multiple test adjustment procedure under the control of the family-wise error rate and provides the graphical interpretation which automatically shows the quantiles or the levels of categorical covariate responsible for the rejection. The Freedman-Lane permutation strategy showed liberality of the test for extreme quantiles, therefore we propose four alternatives that work well even for extreme quantiles and are suitable in different conditions. We present a simulation study to inspect the performance of these strategies, and we apply the chosen strategies to two data examples.

stat.ME

Statistical modeling of diabetic neuropathy: Exploring the dynamics of nerve mortality

Diabetic neuropathy is a disorder characterized by impaired nerve function and reduction of the number of epidermal nerve fibers per epidermal surface. Additionally, as neuropathy related nerve fiber loss and regrowth progresses over time, the two-dimensional spatial arrangement of the nerves becomes more clustered. These observations suggest that with development of neuropathy, the spatial pattern of diminished skin innervation is defined by a thinning process which remains incompletely characterized. We regard samples obtained from healthy controls and subjects suffering from diabetic neuropathy as realisations of planar point processes consisting of nerve entry points and nerve endings, and propose point process models based on spatial thinning to describe the change as neuropathy advances. Initially, the hypothesis that the nerve removal occurs completely at random is tested using independent random thinning of healthy patterns. Then, a dependent parametric thinning model that favors the removal of isolated nerve trees is proposed. Approximate Bayesian computation is used to infer the distribution of the model parameters, and the goodness-of-fit of the models is evaluated using both non-spatial and spatial summary statistics. Our findings suggest that the nerve mortality process changes behaviour as neuropathy advances.

stat.AP

A first-principles study on the lattice thermal conductivity of irradiated glassy states of the Ge$_2$Sb$_2$Te$_5$ phase-change memory material

An analysis of thermal transients from non-equilibrium ab initio molecular-dynamics simulations can be used to calculate the thermal conductivity of materials with a short phonon mean-free path. We adapt the approach-to-equilibrium methodology to the three-dimensional case of a simulation that consists of a cubic core region at higher temperature approaching thermal equilibrium with a thermostatted boundary. This leads to estimates of the lattice thermal conductivity for the glassy state of the phase-change memory material, Ge$_2$Sb$_2$Te$_5$, which are close to previously reported experimental measurements. Self-atom irradiation of the material, modelled using thermal spikes and stochastic-boundary conditions, results in glassy models with a significant reduction of the lattice thermal conductivity compared to the pristine glassy structure. This approach may prove to be useful in technological applications, e.g. for the suppression of thermal cross-talk in phase-change memory and data-storage devices.

cond-mat.mtrl-sci