arXiv subjects

Alptuğ Ulugöl

Publications and source records attributed to Alptuğ Ulugöl.

5 recordsLinked to original sources

arXiv2026

Comparing dimensionality reduction methods for local structural identification in colloidal systems

Quantifying local structures in self-assembled systems is a central challenge in soft matter and materials science. When no a priori knowledge of the relevant structures is available, traditional order parameters often fall short. Unsupervised machine learning provides a convenient route to autonomously uncover structural motifs directly from particle configurations. In this work, we systematically compare three popular dimensionality reduction techniques; Principal Component Analysis (PCA), Autoencoders (AE), and Uniform Manifold Approximation and Projection (UMAP), for classifying local environments in self-assembled systems. We first apply these methods to fluid and crystal configurations of hard and charged spheres. Thereafter, we apply it to an icosahedral arrangement of spheres that self-assembled in spherical confinement, both from simulations as well as from experiments. We demonstrate that UMAP consistently outperforms the other methods in capturing complex structural features, offering a robust tool for structural classification without supervision.

cond-mat.soft↗

arXiv2026

Solid-angle based nearest-neighbor algorithm adapted for systems with low coordination number

Nearest-neighbor identification is central to the analysis of local structure in condensed matter systems. The solid-angle-based nearest-neighbor (SANN) algorithm is widely used offering a parameter-free and computationally efficient alternative to cutoff- or Voronoi-based methods. Unfortunately, however, in systems with low coordination numbers, SANN tends to identify many particles as neighbors that are outside the nearest neighbor shell. Here, we propose a solution to this problem. Specifically, we propose a geometric modification, the ``inscribed circle modification'', that resolves systematic overcounting in low-coordination lattices without introducing free parameters. We benchmark the modified algorithm (mSANN) against Voronoi and the original SANN algorithm in crystalline, quasicrystalline, and heterogeneous systems, and demonstrate that it provides robust and low-cost neighbor identification across both two and three dimensions.

cond-mat.soft↗

arXiv2026

Vacancy defects in square-triangle tilings and their implications for quasicrystals formed by square-shoulder particles

Almost all observed square-triangle quasicrystals in soft-matter systems contain a large number of point-like defects, yet the role these defects play in stabilizing the quasicrystal phase remains poorly understood. In this work, we investigate the thermodynamic role of such defects in the widely observed 12-fold symmetric square-triangle quasicrystal. We develop a new Monte Carlo simulation to compute the configurational entropy of square-triangle tilings augmented to contain two types of irregular hexagons as defect tiles. We find that the introduction of defects leads to a notable entropy gain, with each defect contributing considerably more than a conventional vacancy in a periodic crystal. Intriguingly, the entropy gain is not simply due to individual defect types but isamplified by their combinatorial mixing. We then apply our findings to a microscopic model of core-corona particles interacting via a square-shoulder potential. By combining the configurational entropy with vibrational free-energy calculations, we predict the equilibrium defect concentration and confirm that the quasicrystalline phase contains a higher concentration of point-defects than a typical periodic crystal. These results provide a new understanding of the prominence of observed defects in soft-matter quasicrystals.

cond-mat.soft↗

arXiv2026

Auxetic behaviour in crystals of hard polyhedra

Auxetic materials - systems that, when subjected to a compression in one direction, also compress in one or more perpendicular directions - have intrigued researchers for decades due to their counterintuitive mechanical properties. Their unique behaviour gives auxetic materials potential for a wide range of applications such as shock absorbers, and electrodes in piezoelectric sensors. Most known auxetic materials are realized by connecting rigid, anisotropic units in a hinging manner, which are systems that often are hard to realize experimentally on the microscopic scale. Here, we explore the elastic behaviour of six crystals composed of discrete space-filling hard polygons or polyhedra. We show that some of these systems show partial auxetic behaviour, emerging from the interplay of entropy and geometry alone. To demonstrate the feasibility and robustness of this phenomenon, we create two experimental realizations of square-shaped particles, spanning both colloidal particles driven by Brownian motion and granular particles driven by external vibrations, and confirm the emergence of auxeticity in both cases.

cond-mat.soft↗

arXiv2025

Defects Enhance Stability in 12-fold Symmetric Soft-Matter Quasicrystals

Quasicrystals are materials that exhibit long-range order without translational periodicity. In soft matter, the most commonly observed quasicrystal has 12-fold symmetry and consists of tilings made out of squares and triangles. Intriguingly, both in experiments and simulations, these tilings nearly always appear with many vacancy-related defects that are connected to an additional tile: a rhombus. In this letter, we explore the role of rhombus defects on the entropy of square-triangle 12-fold quasicrystals. We introduce a novel lattice-based Monte Carlo simulation method that uses open boundaries to allow the concentration of defects to fluctuate. Our simulations show that rhombus tiles significantly increase the configurational entropy of the quasicrystal phase, enhancing its stability. These findings highlight the critical role of defects in stabilizing soft-matter quasicrystals.

cond-mat.soft↗