Search arXivSearch

arXiv · 2606.20253

On representation of macroscopic crack in periodic fine-scale discrete mechanical models

Abstract

In multiscale modeling of heterogeneous softening materials, boundary conditions (BC) in the fine-scale model strongly influence the strain localization pattern and the macroscopic response. For rectilinear models (e.g., squares or cubes), standard Periodic BCs produce artificially ductile behavior with excessive energy dissipation when the localization band inclination does not match the periodicity directions. Recently proposed Tessellation and Percolation-path-aligned BCs promise to address this by adapting the periodicity frame to align with the evolving localization bands. Alternatively, spherical/circular models provide an orientation independent response by design. Unfortunately, the standard Periodic BCs do not allow development of proper localization band crossing spherical model's boundaries. A recently proposed modification addresses this by adding a displacement jump to the spherical periodic BCs. This study evaluates the applicability of these novel BCs to a mesoscale discrete particle model of concrete. Two-dimensional square and circular models under uniaxial tension with different loading directions are analyzed, with the selected approaches extended to three-dimensional cube models. Results show that Percolation-path-aligned BCs exhibit major shortcomings: they can lead to multiple localization bands due to uneven straining of the two boundary sections and their weakly constrained section can be prone to spurious strain localization. In contrast, Tessellation BCs consistently yield a well-defined localization band, whose length is determined solely by the model geometry, making it straightforward to account for in post-processing. Periodic boundary conditions augmented with a displacement jump applied to a circular model sometimes incorrect produce crack patterns similar to those under the standard Periodic BCs.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Jan Raisinger, Jan Eliáš. 2026-09-15. On representation of macroscopic crack in periodic fine-scale discrete mechanical models. https://arxiv.org/abs/2606.20253

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)

Cryptomelane is a hollandite-like material consisting of K$^+$ cations in an $α$-MnO$_2$ tunnel-like crystallographic motif. Cryptomelane with stoichiometry K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$) has been synthesized and its magnetic properties investigated using variable-temperature magnetic susceptibility, heat capacity, and neutron powder diffraction. Three distinct transitions at $T_1=184$\,K, $T_2=54.5$\,K, and $T_3=24$\,K are observed. At $T_1$ there is a subtle tetragonal$\rightarrow$monoclinic transition associated with emergence of a set of non-magnetic superstructure peaks indexable to a $\vec{k}_\mathrm{struc}\approx0.74\vec{c^*}$ incommensurate modulation parallel to the $α$-MnO$_2$ tunnels. Our findings are consistent with a relation previously reported in titanate hollandites, that $x\approx2|\vec{k}_\mathrm{struc}|$. Magnetic Bragg peaks emerge below $T_2=54.5$\,K, and their positions indicate an incommensurate modulated magnetic structure. The model consistent with the data is a dual-$\vec{k}_\mathrm{mag}$ structure with a ferromagnetic $|\vec{k}_\mathrm{mag}|=0$ component and an incommensurate $\vec{k}_\mathrm{mag}\approx0.37\vec{c^*}$, with the latter most likely to be helical. The period of oscillation of the incommensurate magnetic component is in line with predictions based on a Heisenberg spin Hamiltonian [Mandal \textit{et al}. Phys. Rev. B 90, 104420 (2014)]. Below $T_3=24$\,K, there is a magnetic transition, which gives rise to a different set of magnetic Bragg peaks indicative of a highly complex magnetic structure.

cond-mat.mtrl-sci

An anisotropic functional for two-dimensional material systems

Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose a special challenge, as all these materials and their heterostructures have a crucial similarity. The underlying atomic structures are strongly spatially inhomogeneous, implying that current exchange-correlation functionals, that in almost all cases are isotropic, are ill-prepared for an accurate description. We present an anisotropic screened-exchange potential, that remedies this problem and reproduces the band-gap of 2D materials as well as the piecewise linearity of the total energy with fractional occupation number.

cond-mat.mtrl-sci

Thermally-driven reorientation of the Néel vector in altermagnetic MnTe

Altermagnets are novel magnetic systems that possess a spin-polarized electronic band structure without a net magnetic moment, making them promising for device applications. Hexagonal MnTe, a prototypical altermagnet, arguably exhibits the most properties consistent with theoretical predictions, including an anomalous Hall effect despite a vanishing net magnetization, and altermagnetinduced electronic band splitting. However, fundamental questions remain, including why some effects only appear significantly below the magnetic ordering temperature. Here, we resolve this discrepancy by revealing a reorientation of the Néel vector in single-crystalline MnTe. The Néel vector points 30° from the a-axis at low $T$, before aligning directly with the a-axis around $T\simeq 260$ K. We attribute this to single-ion anisotropy, which depends on temperature-dependent lattice parameters. We obtained these results using muon-spin spectroscopy, magnetization measurements, and X-ray diffraction; we show that the findings are consistent with neutron diffraction. Manipulating this effect, for example through strain, could unlock sensitive electronic detection schemes for external stimuli, paving the way for functional altermagnetic devices.

cond-mat.mtrl-sci